SCHEMBL9686915

SCHEMBL9686915

CC([C]=O)=Cc1cccc(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
LCK P06239 2/20 0.46
FBP1 P09467 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
CYP3A4 P08684 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GFER P55789 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
AR P10275 1/20 0.40
TUBA1B P68363 1/20 0.40

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
SCHEMBL28121571 0.81 TP53 (0.47) KDM4EFBP1MEN1KMT2AALDH1A1
SCHEMBL143642 0.78 ALDH1A1 (0.54) FBP1MEN1KMT2AALDH1A1MAPT
SCHEMBL143643 0.78 ALDH1A1 (0.54) FBP1MEN1KMT2AALDH1A1MAPT
SCHEMBL14198007 0.78 LCK (0.54) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL21852333 0.76 ALDH1A1 (0.55) KDM4ECYP3A4MEN1KMT2AALDH1A1
SCHEMBL8724395 0.76 ALDH1A1 (0.55) KDM4ECYP3A4MEN1KMT2AALDH1A1
SCHEMBL16601893 0.76 LCK (0.52) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL28122190 0.76 NFE2L2 (0.47) KDM4EFBP1MEN1KMT2ALMNA
SCHEMBL8040509 0.76 KDM4E (0.60) KDM4ECCNB2CDK1CDK4CCNB1
SCHEMBL1137220 0.74 AKR1C3 (0.66) KDM4ECCNB2CDK1CDK4CCNB1

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed