SCHEMBL8974784

SCHEMBL8974784

O=c1cc(NO)[nH]c(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.50
KDM4C Q9H3R0 1/20 0.48
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL18836780 0.76 GPR84 (0.52) GPR84KDM4CTP53MEN1KMT2A
SCHEMBL6999959 0.76 KDM4C (0.48) GPR84KDM4CTP53MEN1KMT2A
SCHEMBL28008499 0.74 GPR84 (0.50) GPR84KDM4CTP53MEN1KMT2A
SCHEMBL3236991 0.73 GPR84 (0.49) GPR84TP53MEN1KMT2ASMN1; SMN2
SCHEMBL28298641 0.73 KDM4C (0.46) GPR84KDM4CTP53MEN1KMT2A
SCHEMBL11379657 0.73 GPR84 (0.45) GPR84KDM4CTP53MEN1KMT2A
SCHEMBL11376319 0.73 GPR84 (0.75) GPR84
SCHEMBL21221811 0.70 TP53 (0.61) TP53
SCHEMBL8709983 0.69 GPR84 (0.77) GPR84
SCHEMBL8154153 0.67 GPR84 (0.53) GPR84KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5525152-A Pigment salts and their use for dyeing and pigmenting BAYER AKTIENGESELLSCHAFT (DE) 1996-06-11 US disclosed
EP-0682087-A1 New pigment salts and their use for dyeing and pigmenting BAYER AG (DE) 1995-11-15 EP disclosed