SCHEMBL4541690

SCHEMBL4541690

COc1ccccc1CNC(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.69
▸ PPARG P37231 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ NR2E3 Q9Y5X4 1/20 0.69
▸ NCOR2 Q9Y618 1/20 0.69
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ MAPT P10636 4/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.53
▸ HPGD P15428 2/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ RECQL P46063 1/20 0.49
▸ HTT P42858 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ THRB P10828 1/20 0.48

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
SCHEMBL4538500 0.91 MEN1 (0.69) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543932 0.89 MEN1 (0.76) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4542829 0.88 MEN1 (0.72) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4539222 0.87 MEN1 (0.73) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4544024 0.87 MEN1 (0.73) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4540585 0.87 MEN1 (0.73) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543834 0.87 MEN1 (0.65) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4540830 0.86 MEN1 (0.72) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4541955 0.85 MEN1 (0.67) MEN1PPARGKMT2ANR2E3NCOR2
SCHEMBL4543700 0.84 CYP1A2 (0.72) MEN1PPARGKMT2ANR2E3NCOR2

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
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