SCHEMBL5658493

SCHEMBL5658493

O=C(COc1ncc(C(=O)Nc2ccc(F)cc2)cn1)OCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 16/20 0.62
CXCR1 P25024 14/20 0.62
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ROCK2 O75116 1/20 0.47

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
SCHEMBL5657717 0.92 CXCR2 (0.58) CXCR2CXCR1MEN1LMNAKMT2A
SCHEMBL5660485 0.89 CXCR2 (0.77) CXCR2CXCR1MEN1LMNAKMT2A
SCHEMBL5845430 0.88 CXCR2 (0.81) CXCR2CXCR1
SCHEMBL5656795 0.82 CXCR2 (0.76) CXCR2CXCR1MEN1LMNAKMT2A
SCHEMBL5656391 0.82 CXCR1 (0.75) CXCR2CXCR1MEN1KMT2A
SCHEMBL5660344 0.82 CXCR1 (0.57) CXCR2CXCR1
SCHEMBL5658349 0.81 CXCR2 (0.73) CXCR2CXCR1NPC1RAB9A
SCHEMBL5656328 0.80 P4HTM (0.57) CXCR2CXCR1NPC1RAB9A
SCHEMBL5659934 0.80 CXCR2 (0.61) CXCR2CXCR1
SCHEMBL5661579 0.79 CXCR2 (0.57) CXCR2CXCR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176310-B1 Pyrimidinecarboxamide derivatives and their use as anti-inflammatory agents UCB SA (GB) 2007-02-13 US disclosed