SCHEMBL28055858

SCHEMBL28055858

NCCN(Cc1ccccc1)N=C=S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.49
▸ PRMT6 Q96LA8 1/20 0.49
▸ PRMT8 Q9NR22 1/20 0.49
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ MIF P14174 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ TRPA1 O75762 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ G6PC1 P35575 4/20 0.40
▸ CYP2A6 P11509 2/20 0.38
▸ CYP2E1 P05181 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CYP2A13 Q16696 1/20 0.38
▸ EPAS1 Q99814 1/20 0.38
▸ AOC3 Q16853 1/20 0.37
▸ HTR2A P28223 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36

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
Acetic Acid SCHEMBL27771245 0.91 CARM1 (0.45) CARM1PRMT6PRMT8MAOAMAOB
SCHEMBL7061213 0.85 MAOA (0.39) CARM1PRMT6PRMT8MAOAMAOB
Acetic Acid SCHEMBL28005843 0.78 REN (0.42) CARM1PRMT6PRMT8MAOAMAOB
SCHEMBL21755 0.69 CARM1 (0.63) CARM1PRMT6PRMT8ALDH1A1CYP2A6
SCHEMBL2346063 0.69 CARM1 (0.63) CARM1PRMT6PRMT8MAOAALDH1A1
SCHEMBL8493818 0.68 GRIN2D (0.46) MAOAMAOBMIFALDH1A1TRPA1
Hydrochloric Acid SCHEMBL11047138 0.67 CARM1 (0.61) CARM1PRMT6PRMT8ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL27797329 0.67 CARM1 (0.61) CARM1PRMT6PRMT8ALDH1A1CYP2A6
SCHEMBL29860798 0.67 CARM1 (0.61) CARM1PRMT6PRMT8ALDH1A1CYP2A6
Hydrochloric Acid SCHEMBL3665790 0.67 CARM1 (0.61) CARM1PRMT6PRMT8MAOAALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105388280-A Indirect competitive ELISA kit and detection method for detecting content of mercury in textiles based on mercury monoclonal antibody JIANGSU ACAD OF SCIENCE AND TECH FOR INSPECTION AND QUARANTINE 2016-03-09 — — CN disclosed
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