SCHEMBL9717672

SCHEMBL9717672

CCCCc1ccc2c(c1)nn(-c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[n+]2[O-]

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.34
NR5A1 Q13285 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL9178179 0.81 HSP90AA1 (0.32) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9182116 0.80 NPC1 (0.40) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL11213164 0.79 NR5A2 (0.38) NR5A2NR5A1CYP1A2CYP3A4CYP2C9
SCHEMBL6862391 0.73 CCR2 (0.30)
SCHEMBL9460551 0.73 SMN1; SMN2 (0.41) CYP2C9CYP2C19
SCHEMBL7521249 0.72 KDM4E (0.31)
SCHEMBL7525387 0.72 NPC1 (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9460479 0.71 RORC (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9460830 0.71 KAT8 (0.39) CYP3A4
SCHEMBL7081279 0.70 SMN1; SMN2 (0.38) CYP2C9CYP2C19

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-0259530-B1 METHOD FOR PREPARING 2-PHENYLBENZOTRIAZOLES AND 2-PHENYLBENZOTRIAZOLE-N-OXIDES CHEMIPRO KASEI KAISHA LTD (JP) 1992-04-08 EP disclosed