SCHEMBL4375292

SCHEMBL4375292

NNc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
PAX8 Q06710 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
GAA P10253 1/20 0.41

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
Hydrochloric Acid SCHEMBL10564643 0.98 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL498377 0.82 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL12015662 0.80 MEN1 (0.50) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL16792598 0.80 XDH (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL28806796 0.78 MEN1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL6002583 0.77 MEN1 (0.44) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3889561 0.77 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9069320 0.77 PIK3CD (0.61) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL9682 0.77 MAPT (0.63) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL18380932 0.76 SCN5A (0.56) ALDH1A1MAPTMEN1KMT2ALMNA

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
US-4864032-A Process for the preparation of indazoles ORTHO PHARMACEUTICAL CORPORATION 1989-09-05 US disclosed