SCHEMBL4542254

SCHEMBL4542254

O=C(NNc1ncc(C(F)(F)F)cc1Cl)c1cccn1-c1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.61
MAPT P10636 5/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
GAA P10253 10/20 0.57
KDM4E B2RXH2 2/20 0.57
POLB P06746 2/20 0.57
ALDH1A1 P00352 10/20 0.52
PPARG P37231 1/20 0.52
NR2E3 Q9Y5X4 1/20 0.52
NCOR2 Q9Y618 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 6/20 0.48
NOD2 Q9HC29 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 4/20 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
SCHEMBL4543811 0.93 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4543827 0.92 SMN1; SMN2 (0.63) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4539551 0.91 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4543798 0.90 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4538822 0.90 SMN1; SMN2 (0.59) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL13707549 0.89 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4539835 0.89 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4544012 0.89 MAPT (0.58) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL4539240 0.89 SMN1; SMN2 (0.57) SMN1; SMN2MAPTMEN1KMT2ANPSR1
SCHEMBL13707720 0.89 SMN1; SMN2 (0.59) 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 1 patent. 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