SCHEMBL11227296

SCHEMBL11227296

COc1ccc2c(C)cc(=O)oc2c1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.68
KDM4E B2RXH2 6/20 0.67
ALDH1A1 P00352 6/20 0.67
HSD17B10 Q99714 4/20 0.67
HPGD P15428 3/20 0.67
TSHR P16473 2/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
ALPL P05186 6/20 0.61
ALPI P09923 4/20 0.61
MAOA P21397 2/20 0.52
CYP1A2 P05177 1/20 0.49
MAOB P27338 2/20 0.47
LMNA P02545 4/20 0.47
GAA P10253 4/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
GLA P06280 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MGAM O43451 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
SCHEMBL4772250 0.82 KDM4E (0.74) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL981095 0.81 MCL1 (1.00) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL31331777 0.81 MCL1 (0.70) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9463878 0.80 ALDH1A1 (1.00) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7358800 0.79 MCL1 (0.67) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4931319 0.78 ALDH1A1 (0.52) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL15984891 0.78 MCL1 (1.00) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5321909 0.78 KDM4E (0.72) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL11227397 0.78 HSD17B10 (0.72) MCL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL18232224 0.77 KDM4E (0.70) MCL1KDM4EALDH1A1HSD17B10HPGD

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-4309353-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4205082-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-27 US disclosed