SCHEMBL9307166

SCHEMBL9307166

OC(=S)CC(C(O)=S)c1nc2cccc(Br)c2o1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.34
MTNR1B P49286 6/20 0.34
C1R P00736 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9307174 0.90 MTNR1A (0.38) MTNR1AMTNR1BC1RKMT2A
SCHEMBL10893568 0.85 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL10892680 0.81 MTNR1A (0.34) MTNR1AMTNR1B
SCHEMBL9307147 0.80 MTNR1A (0.38) MTNR1AMTNR1BKMT2A
SCHEMBL10891078 0.79 ALDH1A1 (0.36) MTNR1AMTNR1BKMT2A
SCHEMBL10890461 0.79 ADORA3 (0.36) MTNR1AMTNR1BKMT2A
SCHEMBL8972323 0.79 NPC1 (0.42) KMT2A
SCHEMBL9307161 0.77 MTNR1A (0.38) MTNR1AMTNR1BC1RKMT2A
Ammonia Solution, Strong SCHEMBL10865670 0.77 RAB9A (0.41) KMT2A
Methylamine SCHEMBL10867851 0.75 NPC1 (0.39) KMT2A

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
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed