SCHEMBL9849523

SCHEMBL9849523

O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
MAPT P10636 2/20 0.70
KMT2A Q03164 2/20 0.70
ALDH1A1 P00352 3/20 0.66
LMNA P02545 2/20 0.65
RAB9A P51151 2/20 0.64
NPC1 O15118 1/20 0.64
BACE1 P56817 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 1/20 0.59
POLB P06746 1/20 0.58
HTT P42858 1/20 0.56
MAPK14 Q16539 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
TACR1 P25103 2/20 0.56
MLYCD O95822 1/20 0.56
BACE2 Q9Y5Z0 1/20 0.55

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
SCHEMBL3235987 0.88 BACE1 (0.60) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL3571475 0.88 BACE1 (0.60) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL3572811 0.88 BACE1 (0.60) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL28036112 0.88 RAB9A (0.61) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL3581359 0.86 LMNA (0.60) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL5175891 0.86 BACE1 (0.58) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL28499154 0.85 ALDH1A1 (0.69) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL5177697 0.85 BACE1 (0.57) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL3569054 0.85 BACE1 (0.57) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL3578662 0.84 BACE1 (0.56) MEN1MAPTKMT2AALDH1A1LMNA

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
EP-0415185-A1 4-Alkoxy- and 4-(substituted)amino-3-arylpyrrolinones derivatives BAYER AG (DE) 1991-03-06 EP disclosed