SCHEMBL5658884

SCHEMBL5658884

O=C(COc1ncc(C(=O)Nc2ccc(F)cc2)cn1)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
MAPT P10636 5/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
CXCR1 P25024 4/20 0.57
CXCR2 P25025 4/20 0.57
GAA P10253 1/20 0.51
P4HTM Q9NXG6 1/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 5/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 3/20 0.46
PTPN7 P35236 1/20 0.46
PTPN12 Q05209 1/20 0.46
PTPN22 Q9Y2R2 1/20 0.46
MAPK1 P28482 1/20 0.46
POLB P06746 2/20 0.44
MITF O75030 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
SCHEMBL5661096 0.90 CXCR2 (0.67) MAPTNPC1RAB9ASMN1; SMN2CXCR1
SCHEMBL5656795 0.85 CXCR2 (0.76) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5657684 0.79 CXCR1 (0.61) KMT2ANPC1RAB9ACXCR1CXCR2
SCHEMBL5658349 0.79 CXCR2 (0.73) NPC1RAB9ACXCR1CXCR2P4HTM
SCHEMBL5658045 0.78 CXCR2 (0.59) KMT2ANPC1RAB9ACXCR1CXCR2
SCHEMBL5656328 0.76 P4HTM (0.57) NPC1RAB9ACXCR1CXCR2P4HTM
SCHEMBL5659069 0.76 CXCR2 (0.59) MAPTNPC1RAB9ACXCR1CXCR2
SCHEMBL5656391 0.76 CXCR1 (0.75) KMT2AMAPTCXCR1CXCR2P4HTM
SCHEMBL5658556 0.76 NPC1 (0.52) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL5660902 0.75 CXCR1 (0.56) NPC1RAB9ASMN1; SMN2CXCR1CXCR2

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