SCHEMBL9829535

SCHEMBL9829535

COc1ccc(C2(CCCCl)Sc3ccccc3N(C)C2=O)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
SCN9A Q15858 1/20 0.40
BCHE P06276 2/20 0.35
ACHE P22303 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
SMPD1 P17405 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BACE1 P56817 5/20 0.34
CTSD P07339 4/20 0.34
BACE2 Q9Y5Z0 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TLR4 O00206 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 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
SCHEMBL9829359 0.89 RAB9A (0.41) RAB9ASCN9ABCHEACHERXFP1
SCHEMBL9828930 0.85 RAB9A (0.41) RAB9ASCN9ABCHEACHERXFP1
SCHEMBL9830031 0.84 MAPT (0.37) RAB9ASCN9AALDH1A1KMT2A
Oxalic Acid SCHEMBL9829862 0.84 TP53 (0.41) RAB9ASCN9ABCHEACHERXFP1
SCHEMBL9830150 0.83 RAB9A (0.39) RAB9ASCN9ABCHEACHERXFP1
SCHEMBL9831340 0.80 EBP (0.45)
Oxalic Acid SCHEMBL9831243 0.77 SMPD1 (0.47) SMPD1ALDH1A1
Hydrochloric Acid SCHEMBL9829644 0.77 HRH1 (0.41) RAB9A
Oxalic Acid SCHEMBL9831824 0.76 SMPD1 (0.46) SMPD1ALDH1A1
SCHEMBL9831128 0.74 CYP2C19 (0.42) RAB9ASCN9ABCHEACHERXFP1

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