SCHEMBL7308643

SCHEMBL7308643

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
ADORA3 P0DMS8 3/20 0.46
TSHR P16473 2/20 0.46
CACNA1C Q13936 2/20 0.46
ABCB1 P08183 2/20 0.46
ADRA1A P35348 2/20 0.46
MTOR P42345 2/20 0.46
RAB9A P51151 2/20 0.46
SLC6A3 Q01959 2/20 0.46
NPC1 O15118 1/20 0.46
ABCC4 O15439 1/20 0.46
ABCB11 O95342 1/20 0.46
PGR P06401 1/20 0.46

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
SCHEMBL7315809 0.92 CYP1A2 (0.51) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL11002165 0.90 PDE1C (0.45) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7309659 0.88 CACNA1C (0.53) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7309682 0.88 CACNA1C (0.53) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7305032 0.88 CACNA1C (0.53) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7309769 0.85 MAPT (0.43) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7308471 0.85 CYP1A2 (0.65) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7309111 0.85 CYP1A2 (0.45) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL30358017 0.85 CYP1A2 (0.65) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7349088 0.84 CACNA1C (0.58) MAPTLMNACYP1A2CYP3A4CYP2D6

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-0177965-B1 NOVEL OXA- AND THIADIAZOLYL DERIVATIVES AND THEIR USE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1990-03-21 EP disclosed
US-4705786-A Novel oxadiazolyl-1,4-dihydropyridines useful as antihypertensive agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-11-10 US disclosed
EP-0177965-A2 Novel oxa- and thiadiazolyl derivatives and their use SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1986-04-16 EP disclosed