SCHEMBL7803252

SCHEMBL7803252

CC(c1cc2ccccc2n1Cc1cccnc1)N(O)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
LMNA P02545 2/20 0.43
ALOX5AP P20292 1/20 0.42
CCR2 P41597 1/20 0.42
ALOX5 P09917 3/20 0.40
SRC P12931 1/20 0.40
PLA2G10 O15496 1/20 0.40
NTRK1 P04629 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NOX4 Q9NPH5 1/20 0.39

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
SCHEMBL7807930 0.84 IDO1 (0.41) IDO1LMNAALOX5APCCR2PLA2G10
SCHEMBL7803015 0.81 SRC (0.48) IDO1LMNAALOX5APCCR2SRC
SCHEMBL7811906 0.78 IDO1 (0.47) IDO1LMNAALOX5APCCR2SRC
SCHEMBL7803181 0.78 LMNA (0.52) IDO1LMNACCR2SRCPLA2G10
SCHEMBL7803251 0.76 ALOX5 (0.45) ALOX5
SCHEMBL7809463 0.75 CNR2 (0.53) LMNAALOX5SMN1; SMN2CNR2
SCHEMBL7423858 0.75 CCR2 (0.74) IDO1LMNACCR2SRCPLA2G10
SCHEMBL7803162 0.73 IDO1 (0.41) IDO1LMNACCR2ALOX5SRC
SCHEMBL7815558 0.73 LMNA (0.46) IDO1LMNACCR2SRCPLA2G10
SCHEMBL2399231 0.73 ALOX5 (0.54) LMNAALOX5APALOX5

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