SCHEMBL11076680

SCHEMBL11076680

CCCCNc1ccc2ccccc2c1N=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TLR8 Q9NR97 1/20 0.43
▸ UTS2R Q9UKP6 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ NCEH1 Q6PIU2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RGS12 O14924 1/20 0.40
▸ USP2 O75604 1/20 0.40

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
SCHEMBL11075613 0.84 IDO1 (0.45) CNR1CNR2CYP1A2MAPTHPGD
SCHEMBL11025485 0.82 KDM4E (0.46) CNR1CNR2CYP2C19MAPTHPGD
SCHEMBL11078414 0.77 IDO1 (0.41) CYP1A2CYP3A4CYP2C19CYP2C9HPGD
SCHEMBL10614728 0.77 CNR1 (0.52) CNR1CNR2CYP1A2CYP3A4CYP2C19
SCHEMBL11685404 0.77 CNR1 (0.47) CNR1CNR2TLR8MAPTHPGD
SCHEMBL11685397 0.77 CNR1 (0.47) CNR1CNR2TLR8MAPTHPGD
SCHEMBL731902 0.76 ALDH1A1 (0.67) CNR1CNR2CYP1A2CYP3A4CYP2C19
SCHEMBL30301306 0.76 ALDH1A1 (0.67) CNR1CNR2CYP1A2CYP3A4CYP2C19
SCHEMBL22181933 0.75 SIRT1 (0.54) CYP3A4MAPTHPGDKDM4EALDH1A1
SCHEMBL27467257 0.74 CNR1 (0.56) CNR1CNR2CYP1A2CYP3A4CYP2C19

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-4435417-A ANTIINFLAMMATORY AGENTS GRUPPO LEPETIT S.P.A. (IT) 1984-03-06 — — US disclosed
EP-0012866-A1 New 3H-naphtho(1,2-d)imidazoles, processes for preparing them, compounds for use as antiinflammatory and antimicrobial agents and compositions for that use containing them GRUPPO LEPETIT S.P.A. (IT) 1980-07-09 — — EP disclosed
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