SCHEMBL4788948

SCHEMBL4788948

COc1nc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)n1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 1/20 0.43
PYGL P06737 3/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
NTRK1 P04629 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
THRB P10828 1/20 0.41
GPR35 Q9HC97 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL4786438 0.89 CNR1 (0.43) KMT2AMEN1CRHBPCRHR2LMNA
SCHEMBL4789019 0.85 SMN1; SMN2 (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4787054 0.84 LMNA (0.46) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL4787971 0.83 MEN1 (0.38) KMT2AMEN1CRHBPCRHR2LMNA
SCHEMBL4886940 0.82 MEN1 (0.35) KMT2AMEN1CRHBPCRHR2LMNA
SCHEMBL4786501 0.82 MEN1 (0.35) KMT2AMEN1CRHBPCRHR2LMNA
SCHEMBL4750536 0.82 HPGD (0.38) KMT2AMEN1CRHBPCRHR2LMNA
SCHEMBL4891786 0.80 ALDH1A1 (0.42) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL3290470 0.77 NTRK1 (0.42) KMT2AMEN1CRHBPCRHR2LMNA
SCHEMBL4747643 0.75 FFAR2 (0.44) LMNAALDH1A1L3MBTL1MAPTSMN1; SMN2

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
WO-2008130313-A1 IMIDAZOLE DERIVATIVES AS MODULATORS OF THE GABA RECEPTOR FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS ASTRAZENECA AB (SE) 2008-10-30 WO disclosed