SCHEMBL4540506

SCHEMBL4540506

CN(Cc1ccc(OC(F)(F)F)cc1)Cc1cccn1-c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
LMNA P02545 1/20 0.46
ALDH1A1 P00352 6/20 0.45
PKM P14618 2/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPSR1 Q6W5P4 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
PPARG P37231 1/20 0.40
NR2E3 Q9Y5X4 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
POLB P06746 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL4542449 0.83 ALDH1A1 (0.47) MAPTLMNAALDH1A1PKMMEN1
SCHEMBL4543789 0.78 PKM (0.45) MAPTLMNAALDH1A1PKMMEN1
SCHEMBL13707840 0.77 MEN1 (0.49) MAPTLMNAALDH1A1PKMTRPM8
SCHEMBL4537144 0.76 PKM (0.45) MAPTLMNAALDH1A1PKMMEN1
SCHEMBL13707795 0.75 TRPM8 (0.43) MAPTLMNAALDH1A1TRPM8MEN1
SCHEMBL4544004 0.74 MEN1 (0.67) MAPTALDH1A1PKMMEN1KMT2A
SCHEMBL4539248 0.73 MAPT (0.54) MAPTLMNAALDH1A1PKMMEN1
SCHEMBL4542177 0.70 MAPT (0.58) MAPTLMNAALDH1A1PKMMEN1
SCHEMBL4542539 0.69 MAPT (0.64) MAPTLMNAALDH1A1PKMMEN1
SCHEMBL4537558 0.69 MAPT (0.56) MAPTLMNAALDH1A1PKMMEN1

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