SCHEMBL8586971

SCHEMBL8586971

Nc1cccc(C(=O)c2ccc(C#Cc3ccccc3)cc2)c1Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
SRD5A2 P31213 3/20 0.41
BCL2 P10415 2/20 0.40
MCL1 Q07820 2/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
BAD Q92934 1/20 0.40
HAO1 Q9UJM8 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
FFAR1 O14842 1/20 0.39
PARP10 Q53GL7 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL27737105 0.87 MAPT (0.61) MAPTGAASRD5A2BCL2MCL1
SCHEMBL9859607 0.84 MAPT (0.61) MAPTGAASRD5A2BCL2MCL1
SCHEMBL7542589 0.83 CTNNB1 (0.47) MAPTGAASRD5A2BCL2MCL1
SCHEMBL31372448 0.81 CTNNB1 (0.46) MAPTGAASRD5A2BCL2MCL1
SCHEMBL28482644 0.81 CTNNB1 (0.46) MAPTGAASRD5A2BCL2MCL1
SCHEMBL6165445 0.80 MAPT (0.54) MAPTGAANPC1RAB9AKDM4E
SCHEMBL10390477 0.80 AKR1C3 (0.60) MAPTGAASRD5A2BCL2MCL1
SCHEMBL6162870 0.79 CTNNB1 (0.53) MAPTSRD5A2BCL2MCL1BAD
SCHEMBL8586968 0.78 MAPT (0.49) MAPTGAANPC1RAB9AFFAR1
SCHEMBL25135304 0.78 MAPT (0.50) MAPTHAO1NPC1FFAR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0842212-A4 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NASA (US) 1998-10-14 EP disclosed
EP-0842212-A1 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1998-05-20 EP disclosed
WO-1997006200-A1 IMIDE OLIGOMERS AND CO-OLIGOMERS CONTAINING PENDENT PHENYLETHYNYL GROUPS AND POLYMERS THEREFROM NATIONAL AERONAUTICS & SPACE ADMINISTRATION (US) 1997-02-20 WO disclosed