SCHEMBL9829795

SCHEMBL9829795

COc1ccc(OCCCCl)c(C2(CCCCSC)Sc3ccccc3N(C)C2=O)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.33
PTPN1 P18031 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
SCN9A Q15858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
ALOX15 P16050 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
NQO2 P16083 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL9830031 0.86 MAPT (0.37) RAB9AADAMTS5SCN9AALDH1A1TSHR
SCHEMBL9830684 0.85 MEN1 (0.40) RAB9AADAMTS5SCN9AALDH1A1TSHR
Hydrochloric Acid SCHEMBL9828610 0.84 SMPD1 (0.46) ALOX15
SCHEMBL9829551 0.82 PTPN1 (0.35) RAB9APTPN1ADAMTS5ALDH1A1TSHR
SCHEMBL9831626 0.82 RAB9A (0.36) RAB9APTPN1ADAMTS5ALDH1A1TSHR
SCHEMBL9829526 0.76 DRD2 (0.40)
Oxalic Acid SCHEMBL10672405 0.74 KDM4E (0.48) RAB9ASCN9AALDH1A1TSHRNQO2
SCHEMBL9831349 0.74 ADAMTS5 (0.34) RAB9AADAMTS5ALDH1A1TSHRALOX15
SCHEMBL9828340 0.73 RAB9A (0.35) RAB9AADAMTS5ALDH1A1TSHRALOX15
SCHEMBL9829535 0.73 RAB9A (0.41) RAB9ASCN9AALDH1A1RXFP1CYP2C9

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-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