SCHEMBL8422955

SCHEMBL8422955

C(CP(c1ccccc1)c1ccccc1)=Nc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAOA P21397 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
ALOX12 P18054 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8419195 0.80 KMT2A (0.33) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL13293244 0.77 CYP3A4 (0.35) TDP1CYP3A4KDM4E
SCHEMBL10090559 0.74 ALDH1A1 (0.45) CYP2C9ALDH1A1KMT2AMEN1GAA
SCHEMBL7516473 0.74 ALDH1A1 (0.45) CYP2C9ALDH1A1KMT2AMEN1GAA
Hydrochloric Acid SCHEMBL2960053 0.72 ALDH1A1 (0.43) CYP2C9ALDH1A1KMT2AMEN1GAA
SCHEMBL4972429 0.72 CYP3A4 (0.43) GAATDP1CYP3A4KDM4E
Hydrochloric Acid SCHEMBL2960051 0.72 ALDH1A1 (0.43) CYP2C9ALDH1A1KMT2AMEN1GAA
SCHEMBL8419561 0.72 MEN1 (0.34) KMT2AMEN1MAPTTDP1NPC1
SCHEMBL8420820 0.72 ALDH1A1 (0.33) CYP2C9ALDH1A1KMT2AMEN1MAPT
SCHEMBL7031583 0.72 CYP3A4 (0.31) TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944638-A1 CIS-BRIDGED METAL COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
EP-0944666-A1 CATALYST SYSTEMS FOR PRODUCING COPOLYMERS OF CARBON MONOXIDE AND OLEFINICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
WO-1998025939-A1 CIS-BRIDGED METAL COMPLEXES BASF AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed
WO-1998025991-A1 CATALYST SYSTEMS FOR PRODUCING COPOLYMERS OF CARBON MONOXIDE AND OLEFINICALLY UNSATURATED COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-06-18 WO disclosed