SCHEMBL7770883

SCHEMBL7770883

CCOc1cc(-c2ccc[nH]2)[nH]c1/C=C1\N=C(C)C(CC)=C1C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.33
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7571849 1.00 CDK2 (0.33) CDK2MEN1MAPTKMT2AKDM4E
SCHEMBL1389034 0.91 EZH2 (0.33) MAPT
SCHEMBL1389035 0.91 EZH2 (0.33) MAPT
SCHEMBL31238363 0.82 MAPT (0.48) CDK2MEN1MAPTKMT2AKDM4E
SCHEMBL7514650 0.78 CDK2 (0.34) CDK2
SCHEMBL7514647 0.78 CDK2 (0.34) CDK2
SCHEMBL31238321 0.78 GAA (0.33) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL19452944 0.77 ALDH1A1 (0.39) MEN1MAPTKMT2AKDM4EALDH1A1
SCHEMBL7581044 0.75 CDK2 (0.42) CDK2MEN1MAPTKMT2AKDM4E
SCHEMBL7575050 0.74 ALDH1A1 (0.31) CDK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825983-B1 PROCESS FOR THE PREPARATION OF 2,2'-BIPYRROLYL-PYRROMETHENE (PRODIGIOSINS) DERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2001-08-29 EP claimed