SCHEMBL9749448

SCHEMBL9749448

CNCCCOc1ccc(OC)cc1C1Sc2ccccc2N(C)C1=O

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A2 P23975 1/20 0.36
CACNA1S Q13698 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL9748247 0.88 RAB9A (0.40) RAB9ACYP3A4POLBMAPTCACNA1S
SCHEMBL7288930 0.87 RAB9A (0.39) RAB9ACYP3A4POLBMAPTCACNA1S
Hydrochloric Acid SCHEMBL9748576 0.87 ADRA1D (0.40) RAB9ACYP3A4ALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL9749792 0.85 ADRA1A (0.42)
SCHEMBL9830525 0.84 RAB9A (0.49) RAB9APOLBMAPTCACNA1SLMNA
SCHEMBL6658857 0.84 CYP3A4 (0.53) RAB9ACYP3A4POLBMAPTALDH1A1
Oxalic Acid SCHEMBL9749435 0.83 MEN1 (0.40) RAB9ACYP3A4LMNAALDH1A1
SCHEMBL7288059 0.83 CYP3A4 (0.37) RAB9ACYP3A4POLBMAPTCACNA1S
SCHEMBL7278811 0.81 PTPN1 (0.41) RAB9ACYP3A4POLBMAPTCACNA1S
SCHEMBL9747909 0.80 CYP3A4 (0.51) RAB9ACYP3A4CACNA1S

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-0237573-B1 NOVEL BENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1992-01-15 EP disclosed
US-4786635-A THERAPEUTIC AGENTS FOR CIRCULATORY DISEASES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-11-22 US disclosed
EP-0237573-A1 NOVEL BENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-09-23 EP disclosed