SCHEMBL2227808

SCHEMBL2227808

CC=C(C#N)N(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 3/20 0.41
▸ ALDH1A1 P00352 9/20 0.39
▸ RAB9A P51151 6/20 0.38
▸ MAPT P10636 5/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ L3MBTL1 Q9Y468 5/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ XBP1 P17861 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ SLC16A3 O15427 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
SCHEMBL15499521 0.73 NPSR1 (0.48) NPSR1ALDH1A1RAB9AMAPTMAPK1
SCHEMBL4971176 0.71 ALDH1A1 (0.54) NPSR1ALDH1A1RAB9AMAPTNPC1
SCHEMBL2565693 0.71 ALDH1A1 (0.47) ALDH1A1L3MBTL1KMT2AMEN1GAA
SCHEMBL138432 0.70 NPSR1 (0.50) NPSR1ALDH1A1RAB9AMAPTNPC1
SCHEMBL11862805 0.70 NPSR1 (0.56) NPSR1ALDH1A1RAB9AMAPTMAPK1
SCHEMBL28082270 0.70 NPSR1 (0.44) NPSR1ALDH1A1RAB9AMAPTMAPK1
SCHEMBL11034554 0.69 ALDH1A1 (0.48) ALDH1A1RAB9AMAPTMAPK1NPC1
SCHEMBL11034553 0.69 ALDH1A1 (0.48) ALDH1A1RAB9AMAPTMAPK1NPC1
SCHEMBL149652 0.69 NPSR1 (0.40) NPSR1ALDH1A1RAB9AMAPTMAPK1
SCHEMBL149651 0.69 NPSR1 (0.40) NPSR1ALDH1A1RAB9AMAPTMAPK1

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-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 — — WO disclosed
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