SCHEMBL4540241

SCHEMBL4540241

CCc1ccccc1-n1cccc1C(=O)NNc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
GAA P10253 8/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
PPARG P37231 1/20 0.52
NR2E3 Q9Y5X4 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
ALDH1A1 P00352 9/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 4/20 0.46
AGTR1 P30556 3/20 0.46
LMNA P02545 3/20 0.46
ALOX12 P18054 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
SCHEMBL4540240 0.95 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4543827 0.90 SMN1; SMN2 (0.63) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4543636 0.90 MAPT (0.55) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL13707549 0.90 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4542254 0.89 SMN1; SMN2 (0.61) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4543811 0.88 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4539835 0.88 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL13707607 0.87 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4538799 0.87 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4543010 0.86 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMEN1KMT2ANPSR1

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