SCHEMBL5656193

SCHEMBL5656193

O=C(COc1ncc(C(=O)O)cn1)Nc1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
BRD4 O60885 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL5660210 0.74 SMN1; SMN2 (0.55) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL5658844 0.74 CXCR1 (0.53) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL3149056 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL8234531 0.72 RAB9A (0.63) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL23361502 0.72 MAPK14 (0.46) LMNARAB9A
SCHEMBL29268467 0.72 MAPT (0.64) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL15702587 0.70 MEN1 (0.60) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL29268504 0.70 RAB9A (0.60) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL3130610 0.69 RAB9A (0.68) ALDH1A1KMT2AMEN1LMNAL3MBTL1
SCHEMBL5660133 0.69 NOTUM (0.67) ALDH1A1L3MBTL1SMN1; SMN2POLBRAB9A

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