SCHEMBL7811657

SCHEMBL7811657

CC(c1ccc2c(c1)c(-c1cccnc1)cn2C)N(O)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.45
SCN9A Q15858 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
GSK3B P49841 1/20 0.41
ALOX5 P09917 9/20 0.40
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL7808262 0.82 CYP11B2 (0.52) AKR1C3AKR1C2ALOX5
SCHEMBL7807920 0.72 NR4A2 (0.50) NR4A2SCN9AGSK3BS1PR1S1PR3
SCHEMBL7811660 0.70 CYP11B2 (0.45) GSK3BALOX5
SCHEMBL7803251 0.69 ALOX5 (0.45) ALOX5
SCHEMBL7803182 0.69 CYP11B2 (0.49) NR4A2AKR1C3AKR1C2
SCHEMBL15341781 0.67 CYP2A6 (0.43) NR4A2SCN9AAKR1C3AKR1C2GSK3B
SCHEMBL9764977 0.66 POLB (0.53) ALOX5
SCHEMBL2395366 0.66 ALOX5 (0.53) ALOX5
SCHEMBL27403617 0.65 NR4A2 (0.39) NR4A2ALOX5
SCHEMBL24296489 0.65 NR4A2 (0.59) NR4A2GSK3B

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-0949259-B1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME NIKKEN CHEMICALS CO LTD (JP) 2001-06-20 EP disclosed
US-6184238-B1 ANTIALLERGENS, ANTIINFLAMMATORY AGENTS NIKKEN CHEMICALS CO., LTD. (JP) 2001-02-06 US disclosed
EP-0949259-A1 N-HYDROXYUREA DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Nikken Chemicals Company, Limited (JP) 1999-10-13 EP disclosed