SCHEMBL21029199

SCHEMBL21029199

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.40
ALDH1A1 P00352 3/20 0.38
TRPM8 Q7Z2W7 3/20 0.38
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 2/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
FAAH O00519 1/20 0.34
PHGDH O43175 1/20 0.34
MGLL Q99685 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL22876500 0.93 ALDH1A1 (0.38) NPSR1ALDH1A1TRPM8KMT2AL3MBTL1
SCHEMBL20019074 0.88 ALDH1A1 (0.35) NPSR1ALDH1A1TRPM8KMT2AL3MBTL1
SCHEMBL20404432 0.85 ALDH1A1 (0.35) NPSR1ALDH1A1TRPM8KMT2AL3MBTL1
SCHEMBL23682520 0.84 NPSR1 (0.30) NPSR1TRPM8
SCHEMBL20436369 0.83 TRPM8 (0.32) TRPM8
SCHEMBL24621420 0.82 FAAH (0.46) ALDH1A1KMT2AL3MBTL1MEN1NPC1
SCHEMBL20019111 0.82 NPSR1 (0.31) NPSR1TRPM8KMT2AMEN1FAAH
SCHEMBL21972804 0.82 MAPT (0.34) NPSR1ALDH1A1KMT2AL3MBTL1MEN1
SCHEMBL23656346 0.82 PTGIR (0.34) ALDH1A1TRPM8KMT2AL3MBTL1MEN1
SCHEMBL18533863 0.81 NPSR1 (0.38) NPSR1ALDH1A1TRPM8KMT2AL3MBTL1

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
US-20190165293-A1 ORGANIC ELECTRONIC MATERIAL HITACHI CHEMICAL COMPANY, LTD. (JP) 2019-05-30 US disclosed