SCHEMBL7807927

SCHEMBL7807927

Cc1ccc(CN(O)C(N)=O)cc1-c1cc2ccccc2n1Cc1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.44
NTRK1 P04629 1/20 0.42
IDO1 P14902 1/20 0.40
NOX4 Q9NPH5 3/20 0.39
LMNA P02545 2/20 0.38
GABRA1 P14867 3/20 0.38
GABRA5 P31644 3/20 0.38
CNR2 P34972 1/20 0.37
NAMPT P43490 1/20 0.37
ADRA1D P25100 1/20 0.37
ESR1 P03372 1/20 0.36
SRC P12931 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL7803181 0.80 LMNA (0.52) PADI4NTRK1IDO1LMNAGABRA1
SCHEMBL7815558 0.80 LMNA (0.46) PADI4NTRK1IDO1LMNAGABRA1
SCHEMBL7809727 0.74 ADRA1D (0.42) IDO1LMNAADRA1DSRCHDAC3
SCHEMBL7803162 0.72 IDO1 (0.41) PADI4NTRK1IDO1LMNAGABRA1
SCHEMBL7803252 0.72 IDO1 (0.45) NTRK1IDO1NOX4LMNAGABRA1
SCHEMBL7812356 0.71 IDO1 (0.44) NTRK1IDO1LMNAHDAC1HDAC8
SCHEMBL7807930 0.70 IDO1 (0.41) PADI4NTRK1IDO1NOX4LMNA
SCHEMBL27204175 0.69 BRD4 (0.56) NTRK1IDO1LMNAGABRA1GABRA5
SCHEMBL7803193 0.69 IDO1 (0.48) IDO1LMNACNR2SRC
SCHEMBL7803027 0.69 GABRA5 (0.46) IDO1LMNAGABRA1GABRA5CNR2

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