SCHEMBL4540494

SCHEMBL4540494

O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1-c1ccc(Oc2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.53
MAPT P10636 5/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 9/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 8/20 0.47
PPARG P37231 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 5/20 0.44
AGTR1 P30556 2/20 0.44
NOD2 Q9HC29 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL4543859 0.95 SMN1; SMN2 (0.56) SMN1; SMN2MAPTKMT2AMEN1NPSR1
SCHEMBL4544074 0.93 SMN1; SMN2 (0.55) SMN1; SMN2MAPTKMT2AMEN1NPSR1
SCHEMBL4541084 0.92 SMN1; SMN2 (0.51) SMN1; SMN2MAPTKMT2AMEN1NPSR1
SCHEMBL4542957 0.92 SMN1; SMN2 (0.60) SMN1; SMN2MAPTKMT2AMEN1NPSR1
SCHEMBL4543628 0.90 SMN1; SMN2 (0.62) SMN1; SMN2MAPTKMT2AMEN1NPSR1
SCHEMBL4543856 0.88 SMN1; SMN2 (0.57) SMN1; SMN2MAPTKMT2AMEN1NPSR1
SCHEMBL4542315 0.88 SMN1; SMN2 (0.56) SMN1; SMN2MAPTKMT2AMEN1NPSR1
SCHEMBL4541203 0.88 SMN1; SMN2 (0.56) SMN1; SMN2MAPTKMT2AMEN1NPSR1
SCHEMBL13707559 0.86 SMN1; SMN2 (0.62) SMN1; SMN2MAPTKMT2AMEN1NPSR1
SCHEMBL13707560 0.85 SMN1; SMN2 (0.59) SMN1; SMN2MAPTKMT2AMEN1NPSR1

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed