SCHEMBL9831349

SCHEMBL9831349

COc1ccc(OCCCCBr)c(C2(SC)Sc3ccccc3N(C)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 1/20 0.34
RAB9A P51151 5/20 0.33
RXFP1 Q9HBX9 1/20 0.33
MAPT P10636 7/20 0.33
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
NPC1 O15118 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL9829551 0.91 PTPN1 (0.35) ADAMTS5RAB9ARXFP1MAPTALDH1A1
SCHEMBL9830732 0.87 ADAMTS5 (0.36) ADAMTS5RAB9AMAPTALDH1A1KDM4E
SCHEMBL10672763 0.86 ALOX15 (0.35) ADAMTS5RAB9ARXFP1MAPTALDH1A1
SCHEMBL10672529 0.85 ALOX15 (0.35) ADAMTS5RAB9ARXFP1MAPTALDH1A1
SCHEMBL9828340 0.85 RAB9A (0.35) ADAMTS5RAB9ARXFP1MAPTALDH1A1
SCHEMBL9832228 0.84 ADAMTS5 (0.32) ADAMTS5RAB9AMAPTALDH1A1TSHR
SCHEMBL10675415 0.83 ALOX15 (0.36) ADAMTS5RAB9ARXFP1MAPTALDH1A1
SCHEMBL9828526 0.82 SMPD1 (0.42)
Hydrochloric Acid SCHEMBL9831196 0.82 SMPD1 (0.49) ALOX15
SCHEMBL9829147 0.82 SMPD1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233291-B1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP disclosed
US-4739050-A CALCIUM ANTAGONIST, ANTICOAGULANT SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0233291-A1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-08-26 EP disclosed