SCHEMBL14095494

SCHEMBL14095494

Oc1nc(-c2ccc(Br)s2)nc2ccsc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ RXFP1 Q9HBX9 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ SNCA P37840 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALOX12 P18054 2/20 0.34

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
SCHEMBL14095193 0.83 AXL (0.41) RAB9ANPC1MAPTKDM4ERXFP1
SCHEMBL14095195 0.76 ADORA2A (0.50) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL14104152 0.75 MTOR (0.42) RAB9ANPC1KDM4ESMN1; SMN2HSD17B10
SCHEMBL29400863 0.72 MAPT (0.50) RAB9ANPC1MAPTKDM4ERXFP1
SCHEMBL7121620 0.71 PDE4A (0.55) RAB9AMAPTHSD17B10MEN1KMT2A
SCHEMBL14104063 0.71 PIK3CA (0.46) RAB9ANPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL14095091 0.70 PDE4A (0.52) ADORA2AADORA1PIK3CAMTORPDE4A
SCHEMBL14095007 0.69 TRPA1 (0.37) MAPTRXFP1L3MBTL1
SCHEMBL29893499 0.69 AXL (0.39) RAB9ANPC1MAPTSMN1; SMN2HSD17B10
SCHEMBL55302 0.69 AXL (0.39) RAB9ANPC1MAPTSMN1; SMN2HSD17B10

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-2008092862-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
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