SCHEMBL5658255

SCHEMBL5658255

O=C(COc1ncc(C(=O)O)cn1)NCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
HPGD P15428 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.55
RAB9A P51151 1/20 0.55
TSHR P16473 1/20 0.52
ALDH1A1 P00352 3/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP1A2 P05177 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
HPGDS O60760 1/20 0.50
MAPT P10636 1/20 0.49
KDM4E B2RXH2 1/20 0.48
THRB P10828 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
VNN1 O95497 1/20 0.48

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
SCHEMBL5659052 0.83 MAPK1 (0.48) KMT2AHPGDSMN1; SMN2CYP2C19MAPT
SCHEMBL5658844 0.79 CXCR1 (0.53) KMT2ASMN1; SMN2RAB9AALDH1A1L3MBTL1
SCHEMBL32682868 0.77 NR4A2 (0.59) KMT2AHPGDMEN1
SCHEMBL5272168 0.77 KMT2A (1.00) KMT2AHPGDSMN1; SMN2RAB9ATSHR
SCHEMBL5657166 0.77 HCAR3 (0.40) KMT2AHPGDSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL5660210 0.74 SMN1; SMN2 (0.55) KMT2AHPGDSMN1; SMN2RAB9AALDH1A1
SCHEMBL9273340 0.73 KMT2A (0.84) KMT2AHPGDSMN1; SMN2RAB9AALDH1A1
SCHEMBL9271522 0.72 ALDH1A1 (0.82) KMT2AHPGDSMN1; SMN2ALDH1A1CYP2C9
SCHEMBL6944020 0.72 PKM (0.66) KMT2AHPGDTSHRALDH1A1CYP2C9
SCHEMBL6946331 0.72 KMT2A (0.58) KMT2AHPGDSMN1; SMN2ALDH1A1CYP2C9

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