SCHEMBL7803181

SCHEMBL7803181

NC(=O)N(O)Cc1cc2ccccc2n1Cc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
TP53 P04637 1/20 0.47
IDO1 P14902 1/20 0.45
CNR2 P34972 1/20 0.43
SRC P12931 1/20 0.43
NTRK1 P04629 1/20 0.42
CCR2 P41597 1/20 0.41
GABRA1 P14867 2/20 0.41
GABRA5 P31644 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 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
SCHEMBL7815558 0.91 LMNA (0.46) LMNATP53IDO1CNR2SRC
SCHEMBL7812356 0.87 IDO1 (0.44) LMNATP53IDO1NTRK1HDAC1
SCHEMBL7803027 0.87 GABRA5 (0.46) LMNATP53IDO1CNR2SRC
SCHEMBL7803193 0.87 IDO1 (0.48) LMNATP53IDO1CNR2SRC
SCHEMBL7807927 0.80 PADI4 (0.44) LMNAIDO1CNR2SRCNTRK1
SCHEMBL7803162 0.80 IDO1 (0.41) LMNATP53IDO1CNR2SRC
SCHEMBL7803252 0.78 IDO1 (0.45) LMNAIDO1CNR2SRCNTRK1
SCHEMBL7809796 0.76 LMNA (0.52) LMNATP53IDO1CNR2SRC
SCHEMBL18258220 0.75 ALDH1A1 (0.51) LMNAIDO1SRCNTRK1CCR2
SCHEMBL7423858 0.75 CCR2 (0.74) LMNAIDO1CNR2SRCNTRK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10237067-A None JP disclosed
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
JP-H10237067-A N-HYDROXYUREA DERIVATIVE NIKKEN CHEM CO LTD 1998-09-08 JP disclosed