SCHEMBL18828477

SCHEMBL18828477

CC(C)=C/C=C(\C)N(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TRPM8 Q7Z2W7 3/20 0.37
NPC1 O15118 2/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
FAAH O00519 1/20 0.36
PHGDH O43175 1/20 0.36
MGLL Q99685 1/20 0.36
LMNA P02545 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL19443974 0.81 NPSR1 (0.41) NPSR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL23221638 0.80 NPSR1 (0.38) NPSR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL18745271 0.79 NPSR1 (0.48) NPSR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL21029199 0.79 NPSR1 (0.40) NPSR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL18533863 0.76 NPSR1 (0.38) NPSR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL19346868 0.76 ALDH1A1 (0.37) NPSR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL19867963 0.75 NPSR1 (0.36) NPSR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL379142 0.74 TRPM8 (0.50) NPSR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL379140 0.74 TRPM8 (0.50) NPSR1ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL26399527 0.74 ALDH1A1 (0.35) NPSR1ALDH1A1L3MBTL1KMT2AMEN1

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-2651862-B1 SUBSTITUTED TETRAARYLBENZENES MERCK PATENT GMBH (DE) 2017-05-10 EP disclosed