SCHEMBL17488093

SCHEMBL17488093

Cc1cc(Oc2ccc(Cl)cn2)ccc1CNc1nc2ccc(N)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
RAB9A P51151 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
APP P05067 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
SNCA P37840 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL17488101 0.91 RAB9A (0.40) KDM4EPOLBRAB9ASMN1; SMN2TP53
SCHEMBL17487714 0.89 MEN1 (0.40) KDM4EPOLBRAB9ASMN1; SMN2TP53
SCHEMBL17488277 0.89 KDM4E (0.45) KDM4EPOLBRAB9ASMN1; SMN2TP53
SCHEMBL17487452 0.86 RAB9A (0.47) KDM4EPOLBRAB9ASMN1; SMN2TP53
SCHEMBL17488152 0.84 RAB9A (0.39) KDM4EPOLBRAB9ASMN1; SMN2TP53
SCHEMBL17488129 0.83 KDR (0.35) POLBRAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL17488113 0.82 RAB9A (0.44) KDM4EPOLBRAB9ASMN1; SMN2TP53
SCHEMBL18960427 0.82 CYP3A4 (0.45) KDM4EPOLBRAB9ASMN1; SMN2TP53
SCHEMBL17488100 0.82 RAB9A (0.41) KDM4ERAB9ASMN1; SMN2TP53CYP1A2
SCHEMBL17488015 0.82 RAB9A (0.42) KDM4EPOLBRAB9ASMN1; SMN2TP53

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-2016016421-A1 2-AMINO-BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS 5-LIPOXYGENASE AND/OR PROSTAGLANDIN E SYNTHASE INHIBITORS INSTITUT PASTEUR KOREA (KR) 2016-02-04 WO disclosed