SCHEMBL7427026

SCHEMBL7427026

Cn1c(=O)c(Cc2ccc(C#N)cc2)nc2cc(-c3ccccc3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.43
USP30 Q70CQ3 1/20 0.42
F10 P00742 7/20 0.41
PLG P00747 5/20 0.40
HDAC6 Q9UBN7 1/20 0.40
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
PIK3CD O00329 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL8029668 0.84 PIK3CD (0.46) F2USP30BRD4PIK3CDHDAC8
SCHEMBL7426210 0.83 F2 (0.46) F2F10PLGKMT2AKDM4E
SCHEMBL7981348 0.80 BRPF1 (0.56) F2BRD4ALDH1A1
Hydrochloric Acid SCHEMBL7982026 0.80 F2 (0.65) F2F10PLGPRSS1PRSS2
SCHEMBL7981313 0.80 ALDH1A1 (0.44) F2F10PLGMEN1KMT2A
SCHEMBL7968222 0.78 ALDH1A1 (0.38) F2F10PLGBRD4KDM4E
SCHEMBL7426354 0.78 F2 (0.55) F2F10PLGPRSS1PRSS2
SCHEMBL7426925 0.78 F2 (0.72) F2F10PLGHDAC6ALDH1A1
SCHEMBL7978111 0.76 F2 (0.44) F2F10PLGPRSS1PRSS2
SCHEMBL7981516 0.75 BRPF1 (0.42) F2F10PLGBRD4KDM4E

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 3 patents. 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
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed