SCHEMBL4538799

SCHEMBL4538799

COc1ccccc1-n1cccc1C(=O)NNc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.54
MAPT P10636 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 8/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 2/20 0.53
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
ALDH1A1 P00352 7/20 0.48
HTT P42858 5/20 0.45
LMNA P02545 3/20 0.45
AGTR1 P30556 3/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL4540035 0.91 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4541700 0.89 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4543827 0.89 SMN1; SMN2 (0.63) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL13707549 0.88 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4540241 0.87 SMN1; SMN2 (0.56) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4542254 0.87 SMN1; SMN2 (0.61) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4543811 0.86 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4539835 0.86 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL13707607 0.85 SMN1; SMN2 (0.54) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4542315 0.85 SMN1; SMN2 (0.56) 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