SCHEMBL7811906

SCHEMBL7811906

CC(NO)c1cc2ccccc2n1Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
SRC P12931 1/20 0.45
HDAC1 Q13547 4/20 0.45
HDAC8 Q9BY41 4/20 0.45
LMNA P02545 3/20 0.45
ALOX5AP P20292 1/20 0.44
HDAC2 Q92769 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NTRK1 P04629 1/20 0.41
CCR2 P41597 1/20 0.41
GABRA1 P14867 3/20 0.41
GABRA5 P31644 3/20 0.41
NOX4 Q9NPH5 1/20 0.41

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
SCHEMBL7803015 0.86 SRC (0.48) IDO1SRCLMNAALOX5APNTRK1
SCHEMBL7803252 0.78 IDO1 (0.45) IDO1SRCHDAC1HDAC8LMNA
SCHEMBL27204175 0.77 BRD4 (0.56) IDO1SRCHDAC1HDAC8LMNA
SCHEMBL18258220 0.75 ALDH1A1 (0.51) IDO1SRCLMNAALOX5APNTRK1
SCHEMBL7423858 0.75 CCR2 (0.74) IDO1SRCLMNANTRK1CCR2
SCHEMBL7812252 0.72 IDO1 (0.51) IDO1SRCLMNAALOX5APNTRK1
SCHEMBL7811905 0.72 NTSR1 (0.42) HDAC1HDAC8LMNAALOX5APHDAC2
SCHEMBL7807930 0.71 IDO1 (0.41) IDO1LMNAALOX5APNTRK1CCR2
SCHEMBL18247693 0.71 GABRA5 (0.48) IDO1SRCLMNAALOX5APNTRK1
SCHEMBL20853252 0.71 SRC (0.47) IDO1SRCLMNAALOX5APNTRK1

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