SCHEMBL9828340

SCHEMBL9828340

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
KDM4E B2RXH2 4/20 0.34
NPC1 O15118 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TSHR P16473 1/20 0.33
ALOX15 P16050 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9831626 0.90 RAB9A (0.36) RAB9AADAMTS5CYP2C19CYP2C9RXFP1
SCHEMBL10672763 0.88 ALOX15 (0.35) RAB9AADAMTS5RXFP1ALDH1A1MAPT
SCHEMBL10672529 0.87 ALOX15 (0.35) RAB9AADAMTS5RXFP1ALDH1A1MAPT
SCHEMBL9831349 0.85 ADAMTS5 (0.34) RAB9AADAMTS5RXFP1ALDH1A1MAPT
SCHEMBL10675415 0.85 ALOX15 (0.36) RAB9AADAMTS5RXFP1ALDH1A1MAPT
SCHEMBL9829878 0.83 KDM4E (0.35) RAB9ARXFP1ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL9829155 0.81 SMPD1 (0.50) ALOX15
Hydrochloric Acid SCHEMBL9829515 0.81 KMT2A (0.40) CYP2C9MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9829867 0.81 NQO2 (0.36) RAB9AADAMTS5RXFP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9831407 0.80 SMPD1 (0.51) ALOX15

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