SCHEMBL22643654

SCHEMBL22643654

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

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TRPM8 Q7Z2W7 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL25733615 0.93 ALDH1A1 (0.36) NPSR1TRPM8ALDH1A1KMT2AMEN1
SCHEMBL24411467 0.84 FAAH (0.39) ALDH1A1KMT2AMEN1L3MBTL1MAPT
SCHEMBL17246801 0.83 CYP3A4 (0.33) TRPM8ALDH1A1HPGDNPC1HTT
SCHEMBL20209041 0.83 KDM4E (0.33) ALDH1A1L3MBTL1MAPTHPGDTDP1
SCHEMBL19427200 0.82 PTGIR (0.33) TRPM8ALDH1A1HPGDNPC1HTT
SCHEMBL25613394 0.82 ALDH1A1 (0.36) NPSR1ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL13119958 0.81 NPSR1 (0.40) NPSR1TRPM8ALDH1A1KMT2AMEN1
SCHEMBL13261033 0.80 MKNK1 (0.37) —
SCHEMBL13372245 0.80 TRPM8 (0.36) TRPM8ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL20814247 0.79 — —

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-2021120838-A1 ORGANIC COMPOUND, ELECTRONIC DEVICE, AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-06-24 — — WO disclosed
EP-3736306-A1 RECOVERY OF FIBERS FROM FIBER REINFORCED POLYMERS WITH LEWIS BASES The Boeing Company (US) 2020-11-11 — — EP disclosed
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