SCHEMBL4424436

SCHEMBL4424436

Cc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 1/20 0.62
RXFP1 Q9HBX9 1/20 0.61
RAB9A P51151 2/20 0.58
KMO O15229 5/20 0.57
EIF4E P06730 6/20 0.52
DHODH Q02127 1/20 0.51
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL4412318 0.83 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1RXFP1RAB9AKMO
SCHEMBL4423346 0.79 RXFP1 (0.66) SMN1; SMN2ALDH1A1RXFP1RAB9AKMO
SCHEMBL4429929 0.77 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1RXFP1RAB9ADHODH
SCHEMBL2765423 0.76 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1RXFP1RAB9ADHODH
SCHEMBL19645881 0.75 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1RXFP1RAB9ADHODH
SCHEMBL4427419 0.75 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1RXFP1RAB9AKMO
SCHEMBL28330529 0.74 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1RXFP1RAB9ADHODH
SCHEMBL1550372 0.73 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1RXFP1RAB9ANPC1
SCHEMBL1939234 0.73 KMO (1.00) RAB9AKMODHODHNPC1KDM4E
SCHEMBL15441619 0.72 KMO (0.63) RAB9AKMOEIF4EDHODHNPC1

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
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed