SCHEMBL14095193

SCHEMBL14095193

Clc1nc(-c2ccc(Br)s2)nc2ccsc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ ADORA2A P29274 3/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ MAPT P10636 5/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ POLB P06746 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ RXFP1 Q9HBX9 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL14095494 0.83 RAB9A (0.36) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL14095493 0.76 ADORA2A (0.59) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL13789319 0.74 AXL (0.43) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL29400863 0.73 MAPT (0.50) MAPTRAB9AKDM4EPOLBSMN1; SMN2
SCHEMBL3975328 0.73 ALDH1A1 (0.41) MAPTRAB9AKDM4EPOLBSMN1; SMN2
SCHEMBL2876033 0.72 AXL (0.52) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL4744102 0.70 PDE4A (0.56) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL13789313 0.70 AXL (0.46) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL14103880 0.70 DHPS (0.43) AXLMKNK1MKNK2ADORA2AADORA1
SCHEMBL13789359 0.70 AXL (0.39) AXLMKNK1MKNK2ADORA2AADORA1

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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