SCHEMBL11214360

SCHEMBL11214360

Cc1cc(N(O)c2cc(C)c3ccccc3c2)cc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.55
CYP2A6 P11509 3/20 0.55
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.38
TRPM4 Q8TD43 1/20 0.38
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
NQO2 P16083 1/20 0.36
KDM4E B2RXH2 2/20 0.36
BACE1 P56817 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
CCR1 P32246 1/20 0.35

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
SCHEMBL29862170 0.82 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL17383659 0.82 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL18537325 0.78 CYP1A2 (0.53) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1161730 0.72 CYP1A2 (0.61) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL5898012 0.72 CYP1A2 (0.55) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL20837550 0.72 CYP1A2 (0.46) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL598829 0.72 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL29352143 0.72 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL5249792 0.70 CYP1A2 (0.64) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1402233 0.70 CYP1A2 (0.64) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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-0046271-B1 PHOTOSENSITIVE COMPOSITIONS AND ELEMENTS CONTAINING SUBSTITUTED HYDROXYLAMINE E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-10-19 EP disclosed
EP-0046271-A1 Photosensitive compositions and elements containing substituted hydroxylamine E.I. DU PONT DE NEMOURS AND COMPANY (US) 1982-02-24 EP disclosed
US-4298678-A PHOTOOXIDANT AND LEUCO DYE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-11-03 US disclosed