SCHEMBL7812252

SCHEMBL7812252

CC(=NO)c1cc2ccccc2n1Cc1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.51
CCR2 P41597 3/20 0.48
SRC P12931 1/20 0.46
KMT2A Q03164 1/20 0.44
GABRA1 P14867 3/20 0.42
GABRA5 P31644 3/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
GUSB P08236 1/20 0.40
PLA2G10 O15496 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
ALOX5AP P20292 1/20 0.40
NTRK1 P04629 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
F10 P00742 1/20 0.40
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
SCHEMBL7423858 0.81 CCR2 (0.74) IDO1CCR2SRCKMT2AGABRA1
SCHEMBL7424288 0.78 NOD2 (0.69) IDO1CCR2SRCKMT2AGABRA1
SCHEMBL27204175 0.78 BRD4 (0.56) IDO1SRCKMT2AGABRA1GABRA5
SCHEMBL18258220 0.76 ALDH1A1 (0.51) IDO1CCR2SRCGABRA1GABRA5
SCHEMBL7803015 0.75 SRC (0.48) IDO1CCR2SRCGABRA1GABRA5
SCHEMBL7811906 0.72 IDO1 (0.47) IDO1CCR2SRCKMT2AGABRA1
SCHEMBL18247693 0.72 GABRA5 (0.48) IDO1CCR2SRCGABRA1GABRA5
SCHEMBL20853252 0.72 SRC (0.47) IDO1CCR2SRCGABRA1GABRA5
SCHEMBL30229394 0.72 GABRA5 (0.48) IDO1CCR2SRCGABRA1GABRA5
SCHEMBL7420717 0.71 F10 (0.53) IDO1KMT2ALMNATP53NTRK1

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