SCHEMBL17212657

SCHEMBL17212657

CNc1ccc(C(=O)c2ccc(N(C)C)cc2C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HPGD P15428 3/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 1/20 0.46
CDC25A P30304 1/20 0.45
CDC25B P30305 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 3/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43

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
SCHEMBL31119630 0.89 MAPT (0.60) MAPTHPGDNPC1MEN1KMT2A
SCHEMBL9253503 0.89 MAPT (0.60) MAPTHPGDNPC1MEN1KMT2A
SCHEMBL18492956 0.88 MAPT (0.58) MAPTHPGDNPC1MEN1KMT2A
SCHEMBL10605623 0.85 AKR1C3 (0.58) MAPTHPGDNPC1MEN1KMT2A
SCHEMBL9218197 0.84 HPGD (0.61) MAPTHPGDNPC1MEN1KMT2A
SCHEMBL10691446 0.84 NR4A1 (0.57) MAPTHPGDNPC1MEN1KMT2A
SCHEMBL11648215 0.83 MAPT (0.60) MAPTHPGDNPC1MEN1KMT2A
SCHEMBL9197277 0.81 MEN1 (0.52) MAPTHPGDNPC1MEN1KMT2A
SCHEMBL10532008 0.81 LTC4S (0.62) MAPTHPGDNPC1MEN1KMT2A
SCHEMBL7848711 0.81 LMNA (0.64) MAPTHPGDNPC1MEN1KMT2A

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-2015164208-A1 LED PHOTOINITIATORS SUN CHEMICAL CORPORATION (US) 2015-10-29 WO disclosed