SCHEMBL7718554

SCHEMBL7718554

CCOC(=O)c1ccc(OCCCBr)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.59
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TSHR P16473 2/20 0.54
MAPT P10636 5/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.51
KDM4E B2RXH2 3/20 0.50
POLB P06746 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 2/20 0.49
PRSS1 P07477 2/20 0.49
FDPS P14324 1/20 0.48

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
SCHEMBL8320092 0.89 HSD17B2 (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL6401723 0.88 HSD17B2 (0.61) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL4376688 0.87 MAPT (0.59) SMN1; SMN2TSHRMAPTMAPK1KMT2A
SCHEMBL29171428 0.86 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11342699 0.86 POLB (0.53) HSD17B2TSHRMAPK1LMNAPOLB
SCHEMBL29171425 0.86 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL31474383 0.86 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2308139 0.86 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL11245624 0.86 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL29171436 0.86 THRA (0.62) HSD17B2NPC1RAB9ASMN1; SMN2TSHR

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-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO disclosed