SCHEMBL10690271

SCHEMBL10690271

COc1cccc(C(N)=O)c1CC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPK14 Q16539 1/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ PARP15 Q460N3 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ CTSD P07339 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ TAS1R2 Q8TE23 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ ADORA1 P30542 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
SCHEMBL28871862 0.84 KDM4E (0.41) PARP15PARP10PARP1
SCHEMBL1135994 0.80 CTSD (0.49) MEN1KMT2ACTSDHTTLMNA
SCHEMBL3659777 0.79 DRD2 (0.57) CYP2C19KMT2ALMNA
SCHEMBL31253855 0.77 LMNA (0.48) MEN1KMT2ACTSDTAS1R3TAS1R1
SCHEMBL8878061 0.75 ACHE (0.44) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL8878063 0.75 ACHE (0.44) CYP2C9CYP2C19MAPK14MEN1KMT2A
SCHEMBL16974716 0.75 CTSD (0.44) MEN1KMT2ACTSDHTTLMNA
SCHEMBL28132009 0.75 FAAH (0.56) CTSDHTTLMNAIRAK4
SCHEMBL3827916 0.75 LMNA (0.52) MEN1KMT2ACTSDTAS1R3TAS1R1
SCHEMBL28324547 0.74 PARP15 (0.50) PARP15PARP10IRAK4

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
US-4757084-A Pharmaceuticals MERCK & CO., INC. (US) 1988-07-12 — — US disclosed
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