SCHEMBL7404651

SCHEMBL7404651

N=C(N)c1ccc2nc(C(Cc3ccc(C(=O)N4CCN(Cc5ccccc5)CC4)cc3)c3nc4ccccc4[nH]3)[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.48
F2 P00734 2/20 0.46
F10 P00742 2/20 0.46
F7 P08709 2/20 0.46
NPC1 O15118 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44

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
SCHEMBL7404618 0.86 HPGD (0.43) F2F10F7ALDH1A1HPGD
SCHEMBL7450165 0.85 HRH4 (0.50) F2F10F7ALDH1A1LMNA
SCHEMBL7401784 0.79 NPC1 (0.44) F2F10F7NPC1KMT2A
SCHEMBL7408023 0.79 LMNA (0.44) F10KDM4EALDH1A1LMNATSHR
SCHEMBL7409853 0.79 ALDH1A1 (0.43) MAPK14F2F10F7NPC1
SCHEMBL7595573 0.78 F2 (0.58) F2F10F7
SCHEMBL7406501 0.78 F2 (0.53) F2F10F7MEN1MAPK1
SCHEMBL7506704 0.77 CHEK2 (0.53) F2F10F7CHEK2
SCHEMBL7069901 0.75 KDM4E (0.72) NPC1KDM4EALDH1A1PRKAB2PRKAG1
SCHEMBL7410068 0.74 F2 (0.49) F2F10F7MEN1LMNA

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