SCHEMBL17488277

SCHEMBL17488277

Cc1cc(Oc2ccc(Cl)cn2)cc(C)c1CNc1nc2ccc(N)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
POLB P06746 2/20 0.41
RAB9A P51151 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
APP P05067 1/20 0.38
NFKB1 P19838 1/20 0.38
SNCA P37840 1/20 0.38
NFKB2 Q00653 1/20 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
SCHEMBL17488093 0.89 KDM4E (0.44) KDM4EPOLBRAB9ACYP1A2CYP2D6
SCHEMBL17487452 0.85 RAB9A (0.47) KDM4EPOLBRAB9ACYP1A2CYP2D6
SCHEMBL17488152 0.84 RAB9A (0.39) KDM4EPOLBRAB9ACYP1A2CYP2D6
SCHEMBL17488100 0.83 RAB9A (0.41) KDM4ERAB9ACYP1A2CYP2D6CYP2C9
SCHEMBL17488015 0.83 RAB9A (0.42) KDM4EPOLBRAB9ACYP1A2CYP2D6
SCHEMBL17488101 0.83 RAB9A (0.40) KDM4EPOLBRAB9ACYP1A2CYP2D6
SCHEMBL17488232 0.82 RIPK1 (0.35) KDM4EPOLBRAB9ACYP1A2CYP2D6
SCHEMBL17488113 0.82 RAB9A (0.44) KDM4EPOLBRAB9ACYP1A2CYP2D6
SCHEMBL17487714 0.81 MEN1 (0.40) KDM4EPOLBRAB9ACYP1A2CYP2D6
SCHEMBL18960445 0.81 KDM4E (0.45) 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