SCHEMBL7401784

SCHEMBL7401784

N=C(N)c1ccc2[nH]c(C(Cc3ccc(C(=O)N4CCC(O)C4)cc3)c3nc4ccccc4[nH]3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HTR2B P41595 9/20 0.43
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.41
USP1 O94782 1/20 0.40
F10 P00742 3/20 0.39
F9 P00740 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
F2 P00734 2/20 0.39
F7 P08709 2/20 0.39
PDE10A Q9Y233 2/20 0.38

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
SCHEMBL7450165 0.86 HRH4 (0.50) HTR2BHPGDF10F9F2
SCHEMBL7404618 0.84 HPGD (0.43) HTR2BHPGDF10F9F2
SCHEMBL7406501 0.81 F2 (0.53) KMT2AF10F9F2F7
SCHEMBL7404651 0.79 MAPK14 (0.48) NPC1KMT2AHPGDF10F2
SCHEMBL7403653 0.79 F2 (0.49) F10F9F2F7
SCHEMBL7410068 0.79 F2 (0.49) KMT2AF10F9F2F7
SCHEMBL7404382 0.78 F2 (0.48) RAB9AKMT2AF10F9F2
SCHEMBL7408023 0.78 LMNA (0.44) HTR2BHPGDF10F9ITGB3
SCHEMBL7406090 0.76 F10 (0.47) NPC1RAB9AHPGDF10F9
SCHEMBL2881213 0.75 HPGD (0.71) NPC1RAB9AHTR2BKMT2AHPGD

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
WO-1999026932-A1 BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed