SCHEMBL10366192

SCHEMBL10366192

CC1=C(OC(=O)OC(C)C)C(c2cccc([N+](=O)[O-])c2)C(c2nc(CN(C)Cc3ccccc3)no2)=C(C)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
CYP1A2 P05177 5/20 0.47
CYP3A4 P08684 5/20 0.47
CYP2C9 P11712 5/20 0.47
CYP2C19 P33261 5/20 0.47
CYP2D6 P10635 4/20 0.47
MAPT P10636 4/20 0.47
ADORA3 P0DMS8 4/20 0.47
TSHR P16473 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
CACNA1C Q13936 3/20 0.47
ABCB1 P08183 3/20 0.47
ADRA1A P35348 2/20 0.47
MTOR P42345 2/20 0.47
RAB9A P51151 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ADRA2A P08913 2/20 0.47
TBXA2R P21731 2/20 0.47
SCN5A Q14524 2/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL10366475 0.94 CYP1A2 (0.52) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7312401 0.90 LMNA (0.56) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10369421 0.89 CYP1A2 (0.47) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10370936 0.88 CYP1A2 (0.54) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10370821 0.88 CYP1A2 (0.51) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10368720 0.87 CYP1A2 (0.46) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7315809 0.87 CYP1A2 (0.51) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10367274 0.86 CYP1A2 (0.49) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10368176 0.86 CYP1A2 (0.45) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7305032 0.85 CACNA1C (0.53) LMNACYP1A2CYP3A4CYP2C9CYP2C19

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
EP-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP claimed