SCHEMBL7488684

SCHEMBL7488684

CCOC1=NNC(=O)C1=Cc1c(C)[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
MEN1 O00255 8/20 0.40
KMT2A Q03164 8/20 0.40
KDM4E B2RXH2 5/20 0.40
RAB9A P51151 4/20 0.40
NPC1 O15118 2/20 0.40
MCL1 Q07820 1/20 0.40
HTT P42858 3/20 0.39
HPGD P15428 2/20 0.39
GFER P55789 1/20 0.39
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNA2 P20248 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 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
SCHEMBL6088701 0.84 GAA (0.41) GAAMEN1KMT2AKDM4ERAB9A
SCHEMBL6088699 0.84 GAA (0.41) GAAMEN1KMT2AKDM4ERAB9A
SCHEMBL6089063 0.79 MAPT (0.42) KDM4EHTTHPGDMAPTALDH1A1
SCHEMBL6089059 0.79 MAPT (0.42) KDM4EHTTHPGDMAPTALDH1A1
SCHEMBL7489423 0.79 GAA (0.45) GAAMEN1KMT2AKDM4ERAB9A
SCHEMBL6089001 0.78 ABL1 (0.45) GAAMEN1KMT2AKDM4ERAB9A
SCHEMBL6089004 0.78 ABL1 (0.45) GAAMEN1KMT2AKDM4ERAB9A
SCHEMBL6089756 0.78 NTRK1 (0.51) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL6089750 0.78 NTRK1 (0.51) MEN1KMT2AKDM4ERAB9ANPC1
SCHEMBL7485704 0.77 GAA (0.43) GAAMEN1KMT2AKDM4ERAB9A

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-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP claimed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO claimed
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed