SCHEMBL7736474

SCHEMBL7736474

O=C(O)COc1cccc2c1CCCN2CCSCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 3/20 0.44
PPARG P37231 2/20 0.44
PKM P14618 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR6 P50406 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SENP8 Q96LD8 1/20 0.38

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
SCHEMBL7737153 0.86 PTGIR (0.47) PPARGHRH3ALDH1A1PRMT5WDR77
SCHEMBL7730180 0.83 HRH3 (0.40) PPARDPPARGPKMHRH3SMN1; SMN2
SCHEMBL7736514 0.82 PTGIR (0.46) HRH3ALDH1A1PRMT5WDR77PTGIR
SCHEMBL7737711 0.81 HRH3 (0.41) PPARDPPARGPKMHRH3SMN1; SMN2
SCHEMBL7730171 0.81 PTGIR (0.48) PPARDPPARGPKMHRH3SMN1; SMN2
SCHEMBL7730032 0.80 PTGIR (0.58) SMN1; SMN2CYP2C19ALDH1A1MAPTNPC1
SCHEMBL7737079 0.80 PTGIR (0.47) PPARDPPARGPKMHRH3ALDH1A1
SCHEMBL7736464 0.80 PTGIR (0.46) PPARDHRH3HDAC1HDAC6PTGIR
SCHEMBL7737082 0.79 HRH3 (0.46) HRH3SMN1; SMN2MEN1KMT2AHDAC1
SCHEMBL7737206 0.79 PTGIR (0.48) PPARGHRH3ALDH1A1PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407096-B1 1,4-BENZOTHIAZINE AND 1,4-BENZOXAZINE DERIVATIVES; HYPOTENSIVE, ANTIISCHEMIC, ANTIALLERGEN, ANTIASTHMATIC AND ANTICOAGULANT AGENTS; CARDIOVASCULAR DISORDERS TORAY INDUSTRIES, INC. (JP) 2002-06-18 US disclosed
EP-1028113-A1 FUSED BENZENE HETEROCYCLE DERIVATIVES AND UTILIZATION THEREOF TORAY INDUSTRIES, INC. (JP) 2000-08-16 EP disclosed