SCHEMBL7638951

SCHEMBL7638951

O=S1(=O)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KCNA3 P22001 2/20 0.51
TSHR P16473 1/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
EPAS1 Q99814 1/20 0.41
GPR3 P46089 1/20 0.41

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
SCHEMBL28297388 0.85 ALDH1A1 (0.42) ALDH1A1KCNA3TSHRPKMKDM4E
SCHEMBL28068111 0.85 GAA (0.56) ALDH1A1KCNA3TSHRPKMLMNA
SCHEMBL31154056 0.83 ALDH1A1 (0.46) ALDH1A1KCNA3TSHRPKMKDM4E
SCHEMBL7642811 0.81 MAOB (0.43) ALDH1A1KCNA3TSHRPKMKDM4E
SCHEMBL7634824 0.81 EPAS1 (0.56) ALDH1A1KCNA3TSHRPKMKDM4E
SCHEMBL7638472 0.81 GAA (0.48) ALDH1A1KCNA3PKMMAPTRAB9A
SCHEMBL7640758 0.81 MAOB (0.43) ALDH1A1KCNA3TSHRPKMRAB9A
SCHEMBL7633990 0.77 LMNA (0.55) ALDH1A1KCNA3PKMLMNAGAA
SCHEMBL11119530 0.77 ALDH1A1 (0.46) ALDH1A1KCNA3TSHRPKMKDM4E
SCHEMBL11459904 0.76 ALDH1A1 (0.59) ALDH1A1KCNA3TSHRPKMKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433149-B1 Serotonin antagonists, their preparation and pharmaceuticals containing them RHONE POULENC SANTE (FR) 1994-02-16 EP claimed
CN-106866574-B A kind of method of reduction amination synthesis of chiral sulfanilamide (SN) in palladium chtalyst asymmetric molecult 中国科学院大连化学物理研究所 2019-06-04 CN disclosed
CN-105693653-A Method for synthesizing chiral amine through palladium catalyzed asymmetric hydrogenolysis of racemic oxazirine 中国科学院大连化学物理研究所 2016-06-22 CN disclosed
US-6458962-B1 VIRICIDES FOR TREATMENT OF AIDS AND HYDROGENATION OF COMPOUNDS THE UNIVERSITY OF TENNESSEEE RESEARCH CORPORATION 2002-10-01 US disclosed
US-5130313-A Central nervous system disorders, cardiovascular disorders or gastrointestinal disorders RHONE-POULENC SANTE (FR) 1992-07-14 US disclosed
US-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 US disclosed
US-4255578-A Synthesis of perhalomethylcarbinol-substituted phenol and naphthol sulfamphthalein dyes from the corresponding triacylated derivatives POLAROID CORPORATION (US) 1981-03-10 US disclosed
US-4210752-A Synthesis of substituted sulfam(na)phthaleins POLAROID CORPORATION (US) 1980-07-01 US disclosed