SCHEMBL9748247

SCHEMBL9748247

COc1ccc(OCCCBr)c(C2Sc3ccccc3N(C)C2=O)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.40
CYP3A4 P08684 1/20 0.39
LMNA P02545 1/20 0.37
CACNA1S Q13698 1/20 0.37
POLB P06746 1/20 0.35
MAPT P10636 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
SCHEMBL7288930 0.97 RAB9A (0.39) RAB9ACYP3A4LMNACACNA1SPOLB
SCHEMBL9749448 0.88 RAB9A (0.39) RAB9ACYP3A4LMNACACNA1SPOLB
SCHEMBL7298983 0.87 HDAC3 (0.41) CYP3A4LMNACACNA1SPOLB
SCHEMBL9830525 0.86 RAB9A (0.49) RAB9ALMNACACNA1SPOLBMAPT
SCHEMBL10674571 0.85 LMNA (0.37) CYP3A4LMNACACNA1SPOLBMAPT
SCHEMBL10680075 0.85 LMNA (0.36) CYP3A4LMNACACNA1SMAPT
SCHEMBL10675678 0.85 LMNA (0.36) CYP3A4LMNACACNA1SPOLBMAPT
SCHEMBL7278811 0.84 PTPN1 (0.41) RAB9ACYP3A4LMNACACNA1SPOLB
SCHEMBL10675827 0.84 LMNA (0.36) LMNACACNA1SMAPT
Hydrochloric Acid SCHEMBL9748576 0.83 ADRA1D (0.40) RAB9ACYP3A4

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