SCHEMBL8799100

SCHEMBL8799100

Cc1ccsc1CC(=O)c1ccnc(N)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
KDM4A O75164 2/20 0.44
KDM5C P41229 2/20 0.44
KDM6B O15054 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
ALOX5 P09917 1/20 0.38
NAPRT Q6XQN6 1/20 0.34
PNP P00491 2/20 0.33
POLB P06746 1/20 0.33
GSK3B P49841 1/20 0.33
METAP2 P50579 1/20 0.32
RIPK1 Q13546 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
PPARG P37231 1/20 0.32
RAB9A P51151 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
NOS3 P29474 3/20 0.31

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
SCHEMBL7546196 0.89 KDM4E (0.38) KDM4EKDM4AKDM5CKDM6BKDM4D
SCHEMBL9059311 0.82 NAPRT (0.34) KDM4EKDM4AKDM5CKDM6BKDM4D
SCHEMBL8798672 0.78 RAB9A (0.42) KDM4EKDM4AKDM5CKDM6BKDM4D
SCHEMBL7547894 0.77 MAPT (0.46) KDM4EKDM4AKDM4CNAPRTKMT2A
SCHEMBL7546681 0.76 TDP1 (0.37) KDM4ENAPRTPOLBKMT2APPARG
SCHEMBL7556390 0.74 NAPRT (0.37) KDM4EKDM4AKDM5CKDM6BKDM4D
SCHEMBL7546700 0.73 ALOX5 (0.39) KDM4EALOX5NAPRTPOLBKMT2A
SCHEMBL7551790 0.73 SGMS2 (0.36) KDM4EKDM4CNAPRTPOLBASPH
SCHEMBL7600813 0.72
SCHEMBL19857454 0.71 NAPRT (0.57) KDM4EKDM4AKDM6BKDM4DKDM4C

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-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed