SCHEMBL4398658

SCHEMBL4398658

Clc1nc(-c2ccccc2Br)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.66
LMNA P02545 2/20 0.49
CYP19A1 P11511 3/20 0.45
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
IDO1 P14902 1/20 0.41
KMT2A Q03164 1/20 0.40
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
MPL P40238 1/20 0.40
NPC1 O15118 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 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
SCHEMBL30263272 0.79 HSD17B10 (1.00) HSD17B10LMNARAB9ASMN1; SMN2MAPT
SCHEMBL39119 0.79 HSD17B10 (1.00) HSD17B10LMNARAB9ASMN1; SMN2MAPT
SCHEMBL19626487 0.78 HSD17B10 (0.66) HSD17B10LMNARAB9ASMN1; SMN2MAPT
SCHEMBL17336572 0.75 RAB9A (0.66) HSD17B10LMNACYP19A1RAB9ASMN1; SMN2
SCHEMBL30607532 0.74 HSD17B10 (0.47) HSD17B10LMNARAB9ASMN1; SMN2MAPK1
SCHEMBL24696020 0.74 HSD17B10 (0.60) HSD17B10LMNACYP19A1RAB9ASMN1; SMN2
SCHEMBL19625320 0.74 HSD17B10 (0.60) HSD17B10LMNARAB9ASMN1; SMN2MAPK1
SCHEMBL1914839 0.74 HSD17B10 (0.60) HSD17B10LMNARAB9AL3MBTL1MAPT
SCHEMBL956221 0.72 ALDH1A1 (0.61) HSD17B10LMNARAB9ASMN1; SMN2MAPT
SCHEMBL3772673 0.72 CYP19A1 (0.58) HSD17B10LMNACYP19A1RAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP claimed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO claimed