SCHEMBL9017217

SCHEMBL9017217

[Li]C1c2ccccc2C([Li])c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
HTR2A P28223 4/20 0.35
ALDH1A1 P00352 3/20 0.35
ALOX12 P18054 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
GPR3 P46089 1/20 0.35
CYP2A6 P11509 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL825558 0.82 HTR2A (0.55) MEN1KMT2AHTR2AALDH1A1GPR3
SCHEMBL29056534 0.75 MAOA (0.61) MEN1KMT2AMAPTMAOAMAOB
SCHEMBL7631496 0.73 GPR3 (0.46) MEN1KMT2AHTR2AALDH1A1GPR3
SCHEMBL545454 0.70 MEN1 (0.53) MEN1KMT2AGAAHTR2AALDH1A1
SCHEMBL29490140 0.70 MEN1 (0.53) MEN1KMT2AGAAHTR2AALDH1A1
SCHEMBL29436947 0.70 EDNRA (0.43) MEN1KMT2AGAAHTR2AALDH1A1
SCHEMBL16346114 0.64 TSHR (0.35) MEN1KMT2AGAAHTR2AALDH1A1
SCHEMBL11663992 0.64 CYP3A4 (0.35) MEN1KMT2AGAAHTR2AALDH1A1
SCHEMBL12228563 0.64 MEN1 (0.35) MEN1KMT2AGAAHTR2AALDH1A1
SCHEMBL14290677 0.64 MEN1 (0.35) MEN1KMT2AGAAHTR2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4158098-A RANDOMIZER-INITIATOR-COMONOMER REACTION PRODUCT OF A HYDROCARBON LITHIUM COMPOUND AND A POLYALKOXY MONOVINYL AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1979-06-12 US claimed
US-3931107-A POLYALKOXY MONOVINYLAROMATIC COMPOUND IN COPOLYMERIZATION OF A CONJUGATED DIENE WITH A MONOVINYL-SUBSTITUTED AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1976-01-06 US claimed
EP-0666872-B1 PROCESS FOR PREPARING EPOXY-TERMINATED POLYMERS EASTMAN CHEM CO (US) 1996-12-27 EP disclosed
EP-0666872-A1 PROCESS FOR PREPARING EPOXY-TERMINATED POLYMERS. EASTMAN CHEM CO (US) 1995-08-16 EP disclosed
WO-1994010209-A1 PROCESS FOR PREPARING EPOXY-TERMINATED POLYMERS EASTMAN CHEMICAL COMPANY (US) 1994-05-11 WO disclosed
US-5266644-A Process for preparing epoxy-terminated polymers EASTMAN KODAK COMPANY (US) 1993-11-30 US disclosed
US-4603171-A ANTIONIC CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1986-07-29 US disclosed
US-4237246-A DURABLE THERMOPLASTIC AND STABLE AT HIGH TEMPERATURES PHILLIPS PETROLEUM COMPANY (US) 1980-12-02 US disclosed
US-4179480-A Blends of cyclodiene-containing copolymers and block copolymers having improved high temperature green tensile strength PHILLIPS PETROLEUM COMPANY (US) 1979-12-18 US disclosed
US-4169115-A Preparation of block copolymers and products therefrom THE DOW CHEMICAL COMPANY (US) 1979-09-25 US disclosed
US-4163765-A VINYLARENE-CONJUGATED DIENE BLOCK COPOLYMER PHILLIPS PETROLEUM COMPANY (US) 1979-08-07 US disclosed
US-4158098-A RANDOMIZER-INITIATOR-COMONOMER REACTION PRODUCT OF A HYDROCARBON LITHIUM COMPOUND AND A POLYALKOXY MONOVINYL AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1979-06-12 US disclosed
US-4138536-A ORGANOLITHIUM INITIATORS PHILLIPS PETROLEUM COMPANY (US) 1979-02-06 US disclosed
US-4131653-A COPOLYMER OF A 1,3-CYCLODIENE AND AN ACYCLIC CONJUGATED DIENE PHILLIPS PETROLEUM COMPANY (US) 1978-12-26 US disclosed
US-3970607-A LITHIUM CATALYST THE FIRESTONE TIRE & RUBBER COMPANY (US) 1976-07-20 US disclosed
US-3931107-A POLYALKOXY MONOVINYLAROMATIC COMPOUND IN COPOLYMERIZATION OF A CONJUGATED DIENE WITH A MONOVINYL-SUBSTITUTED AROMATIC COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1976-01-06 US disclosed
US-3931126-A MODIFICATION OF CONJUGATED DIENE POLYMERS BY TREATMENT WITH ORGANOLITHIUM AND N,N,N',N'-TETRAMETHYLALKYLENEDIAMINE COMPOUNDS PHILLIPS PETROLEUM COMPANY (US) 1976-01-06 US disclosed