SCHEMBL9829359

SCHEMBL9829359

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
SCN9A Q15858 1/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.37
BACE1 P56817 6/20 0.36
RXFP1 Q9HBX9 1/20 0.35
CTSD P07339 4/20 0.35
BACE2 Q9Y5Z0 4/20 0.35
ALDH1A1 P00352 1/20 0.34
SMPD1 P17405 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
SHMT2 P34897 1/20 0.33
SLC6A2 P23975 2/20 0.32
PDE4D Q08499 2/20 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
SCHEMBL9829535 0.89 RAB9A (0.41) RAB9ABCHEACHESCN9APOLB
SCHEMBL9831128 0.86 CYP2C19 (0.42) RAB9ABCHEACHESCN9ABACE1
SCHEMBL9828930 0.84 RAB9A (0.41) RAB9ABCHEACHESCN9APOLB
Oxalic Acid SCHEMBL9829862 0.83 TP53 (0.41) RAB9ABCHEACHESCN9APOLB
SCHEMBL9830150 0.82 RAB9A (0.39) RAB9ABCHEACHESCN9APOLB
SCHEMBL9831340 0.79 EBP (0.45)
Hydrochloric Acid SCHEMBL9829644 0.78 HRH1 (0.41) RAB9A
Oxalic Acid SCHEMBL9831824 0.77 SMPD1 (0.46) ALDH1A1SMPD1MAPT
Oxalic Acid SCHEMBL9831243 0.76 SMPD1 (0.47) ALDH1A1SMPD1MAPT
Oxalic Acid SCHEMBL9831327 0.75 CYP2D6 (0.45) MEN1KMT2A

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