SCHEMBL7196401

SCHEMBL7196401

c1ccc2c(c1)ncn2-n1cnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
HTT P42858 4/20 0.56
CYP11B1 P15538 3/20 0.50
CYP11B2 P19099 3/20 0.50
POLB P06746 1/20 0.50
TNF P01375 1/20 0.50
FGFR1 P11362 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
STAT6 P42226 1/20 0.47
MAPK1 P28482 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.44

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
SCHEMBL3389268 0.84 TDP1 (0.48) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL7841838 0.84 AGER (0.48) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL9903762 0.82 FGFR1 (0.58) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL1136897 0.82 TDP1 (0.43) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL4553023 0.81 TDP1 (0.46) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL369486 0.80 TDP1 (0.41) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL29991297 0.80 GAA (0.47) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL9449531 0.80 TDP1 (0.44) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL739312 0.80 GAA (0.47) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL7043858 0.78 TDP1 (0.43) TDP1HTTCYP11B1CYP11B2POLB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6586357-B1 Stereospecific catalysts; enantioselective reduction; transition metal complexes CHEMI S.P.A. (IT) 2003-07-01 US claimed
EP-0770085-B1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS CHEMI SPA (IT) 1999-09-22 EP claimed
EP-0770085-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.p.A. (IT) 1997-05-02 EP claimed
WO-1996001831-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.P.A. (IT) 1996-01-25 WO claimed
CN-106046057-B N-heterocyclic carbene metal coordination polymer, preparation method thereof and application of N-heterocyclic carbene metal coordination polymer as catalyst 复旦大学 2020-01-10 CN disclosed
CN-102177141-B bis-1H-benzimidazoles as hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO 2014-07-23 CN disclosed
CN-102177141-A bis-1H-benzimidazoles as hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO 2011-09-07 CN disclosed
US-6586357-B1 Stereospecific catalysts; enantioselective reduction; transition metal complexes CHEMI S.P.A. (IT) 2003-07-01 US disclosed
US-6297387-B1 AND THEIR USE AS CHIRAL CATALYSTS IN STEREOCONTROLLED REACTIONS, SUCH AS DIASTEREO- AND ENANTIOSELECTIVE REDUCTION REACTIONS, ITALFARMACO SUD S.P.A. (IT) 2001-10-02 US disclosed
US-6133191-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 2000-10-17 US disclosed
US-6077958-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 2000-06-20 US disclosed
EP-0770085-B1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS CHEMI SPA (IT) 1999-09-22 EP disclosed
US-5907045-A Heteroaromatic diphosphines as chiral ligands ITALFARMACO SUD S.P.A. (IT) 1999-05-25 US disclosed
EP-0770085-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.p.A. (IT) 1997-05-02 EP disclosed
WO-1996001831-A1 HETEROAROMATIC DIPHOSPHINES AS CHIRAL LIGANDS ITALFARMACO SUD S.P.A. (IT) 1996-01-25 WO disclosed