SCHEMBL9231968

SCHEMBL9231968

Cc1c(C(=O)O)n(C)c2ccc(C#N)cc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
SRC P12931 1/20 0.47
F11 P03951 1/20 0.41
GRIA2 P42262 3/20 0.40
GRIA4 P48058 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALB P02768 1/20 0.39
TSHR P16473 1/20 0.38
USP14 P54578 1/20 0.37
NOTUM Q6P988 1/20 0.37
BRD1 O95696 1/20 0.37
BRPF1 P55201 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP3 P42574 1/20 0.36
KMO O15229 1/20 0.36

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
SCHEMBL4616719 0.77 KDM4E (0.50) SRCKDM4EL3MBTL1TSHRMEN1
SCHEMBL4614815 0.77 MCL1 (0.45) EGFRKDM4EL3MBTL1TSHRKMT2A
SCHEMBL6363289 0.75 EGFR (0.46) EGFRSRCKDM4EL3MBTL1BRD1
SCHEMBL29858321 0.75 EGFR (0.46) EGFRSRCKDM4EL3MBTL1BRD1
SCHEMBL9956776 0.75 KDM4E (0.52) KDM4EL3MBTL1TSHRMEN1HPGD
SCHEMBL16571464 0.74 USP14 (0.36) EGFRSRCF11L3MBTL1USP14
SCHEMBL16571637 0.74 GPR35 (0.47) EGFRSRCF11GRIA2GRIA4
SCHEMBL4615149 0.73 SRC (0.47) SRCKDM4EL3MBTL1TSHRMEN1
SCHEMBL8367878 0.73 EGFR (0.45) EGFRSRCKDM4EUSP14BRD1
SCHEMBL30639179 0.73 KDM4E (0.67) EGFRKDM4EL3MBTL1TSHRMEN1

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-0655439-A2 5,6-Bicyclic glycoprotein IIb IIIa antagonists useful in inhibition of platelet aggregation ELI LILLY AND COMPANY (US) 1995-05-31 EP disclosed