SCHEMBL5656795

SCHEMBL5656795

O=C(COc1ncc(C(=O)Nc2ccc(F)cc2)cn1)Oc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 12/20 0.76
CXCR1 P25024 11/20 0.76
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
LMNA P02545 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
P4HTM Q9NXG6 1/20 0.49
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 2/20 0.47
TDP1 Q9NUW8 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
SCHEMBL5661096 0.94 CXCR2 (0.67) CXCR2CXCR1NPC1RAB9AP4HTM
SCHEMBL5657684 0.89 CXCR1 (0.61) CXCR2CXCR1KMT2AMEN1LMNA
SCHEMBL5658045 0.87 CXCR2 (0.59) CXCR2CXCR1KMT2AMEN1LMNA
SCHEMBL5845511 0.86 CXCR2 (1.00) CXCR2CXCR1KMT2AMEN1LMNA
SCHEMBL5658884 0.85 KMT2A (0.57) CXCR2CXCR1KMT2AMEN1LMNA
SCHEMBL5660902 0.85 CXCR1 (0.56) CXCR2CXCR1NPC1RAB9ASMN1; SMN2
SCHEMBL5660485 0.84 CXCR2 (0.77) CXCR2CXCR1KMT2AMEN1LMNA
SCHEMBL5658349 0.84 CXCR2 (0.73) CXCR2CXCR1NPC1RAB9AP4HTM
SCHEMBL5656328 0.84 P4HTM (0.57) CXCR2CXCR1NPC1RAB9AP4HTM
SCHEMBL5658493 0.82 CXCR2 (0.62) CXCR2CXCR1KMT2AMEN1LMNA

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