SCHEMBL7978111

SCHEMBL7978111

Cn1c(=O)c(Cc2ccc(C#N)cc2)nc2cc(N3CCCCC3=O)ccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.44
F10 P00742 10/20 0.44
PLG P00747 7/20 0.44
BRD9 Q9H8M2 1/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
HTR1A P08908 2/20 0.39
PARP1 P09874 2/20 0.37
ACACB O00763 1/20 0.37
BRPF1 P55201 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL8028389 0.88 BRD9 (0.45) F10BRD9CCNCCDK8HTR1A
Hydrochloric Acid SCHEMBL7985036 0.82 F2 (0.63) F2F10PLGBRD9PRSS1
SCHEMBL7426210 0.81 F2 (0.46) F2F10PLGPRSS1PRSS2
SCHEMBL7427026 0.76 F2 (0.43) F2F10PLGPRSS1PRSS2
SCHEMBL7426354 0.76 F2 (0.55) F2F10PLGPRSS1PRSS2
SCHEMBL7981313 0.76 ALDH1A1 (0.44) F2F10PLG
SCHEMBL7984703 0.75 F2 (0.64) F2F10PLGPRSS1PRSS2
SCHEMBL7426925 0.74 F2 (0.72) F2F10PLGPRSS1PRSS2
SCHEMBL7978114 0.73 BRD9 (0.44) F10BRD9CCNCCDK8BRPF1
SCHEMBL4586702 0.73 ALDH1A1 (0.51) F10BRD9HTR1AACACB

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed