SCHEMBL5659943

SCHEMBL5659943

O=C(COc1ncc(C(=O)O)cn1)NC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
LMNA P02545 4/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 3/20 0.52
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
MAPK1 P28482 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
HCAR3 P49019 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
SCHEMBL5660770 0.99 KMT2A (0.54) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5659402 0.78 KCNJ6 (0.45) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL14112024 0.73 KMT2A (0.77) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL7515503 0.72 KMT2A (0.80) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5658844 0.71 CXCR1 (0.53) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5657166 0.71 HCAR3 (0.40) KMT2AALDH1A1SMN1; SMN2MEN1L3MBTL1
SCHEMBL841376 0.70 HCAR3 (0.45) KMT2AALDH1A1HSD17B10HCAR3
SCHEMBL9043946 0.69 LMNA (0.74) KMT2ALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL5658255 0.69 KMT2A (0.61) KMT2AALDH1A1SMN1; SMN2MEN1L3MBTL1
SCHEMBL19538657 0.68 KMT2A (0.72) KMT2ALMNAALDH1A1SMN1; SMN2MEN1

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