SCHEMBL7499734

SCHEMBL7499734

Fc1ccc(-c2nc(=S)c3c(o2)CCCC3)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.73
MAPT P10636 6/20 0.73
KMT2A Q03164 1/20 0.73
NPC1 O15118 5/20 0.72
CYP1A2 P05177 2/20 0.72
HPGD P15428 2/20 0.72
CYP2C19 P33261 2/20 0.72
ALDH1A1 P00352 2/20 0.64
RECQL P46063 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
KDM4E B2RXH2 2/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
MAOB P27338 2/20 0.39
CYP3A4 P08684 1/20 0.39
TP53 P04637 2/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL1917570 0.71 KDM4E (0.48) RAB9AMAPTKMT2ANPC1CYP1A2
SCHEMBL19674831 0.66 HTR2A (0.47) RAB9ANPC1NOTUM
Hydrochloric Acid SCHEMBL504910 0.65 HTR2A (0.46) RAB9ANPC1
SCHEMBL17982161 0.65 NPC1 (0.44) RAB9AMAPTKMT2ANPC1CYP1A2
SCHEMBL6989278 0.63 PTGS1 (0.52) MAPTALDH1A1SMN1; SMN2
SCHEMBL11480482 0.61 POLB (0.39) RAB9AKMT2ACYP1A2HPGDCYP2C19
SCHEMBL7497847 0.61 TNKS (0.50) RAB9AMAPTNPC1HPGDALDH1A1
SCHEMBL2289115 0.61 NPC1 (1.00) RAB9ANPC1SMN1; SMN2KDM4EMAOB
SCHEMBL9467880 0.60 HDAC6 (0.57) RAB9AMAPTKMT2ANPC1HPGD
SCHEMBL5543997 0.60 NPC1 (0.52) RAB9AMAPTNPC1HPGDALDH1A1

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-0826673-B1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2002-11-20 EP disclosed
US-5972946-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-10-26 US disclosed
EP-0826673-A1 ACETAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-03-04 EP disclosed