SCHEMBL4542974

SCHEMBL4542974

O=C(O)c1cncn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 5/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PPARG P37231 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
POLB P06746 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
SCHEMBL4539917 0.82 MEN1 (0.57) MEN1KMT2AL3MBTL1MAPTCYP2C9
SCHEMBL4542783 0.81 MAPT (0.57) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL4540543 0.81 MAPT (0.66) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL4540192 0.80 MAPT (0.53) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL4540710 0.76 MAPT (0.54) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL4538115 0.75 NPC1 (0.48) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL4539231 0.73 MEN1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4539654 0.73 MAPT (0.66) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4542879 0.72 MAPT (0.65) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4541728 0.72 HPGD (0.51) NPC1RAB9AMEN1KMT2AL3MBTL1

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