SCHEMBL21401699

SCHEMBL21401699

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PC1 P35575 1/20 0.46
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ AOC3 Q16853 5/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ MTOR P42345 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL21401831 0.81 G6PC1 (0.45) G6PC1KMT2AMEN1TRPM8ALOX5
SCHEMBL21392785 0.77 G6PC1 (0.41) G6PC1KMT2AMEN1TRPM8ALOX5
SCHEMBL6911592 0.74 ALOX5 (0.44) G6PC1KMT2AMEN1TRPM8ALOX5
SCHEMBL14667522 0.74 G6PC1 (0.57) G6PC1KMT2AMEN1ALDH1A1LMNA
SCHEMBL7373897 0.74 G6PC1 (0.57) G6PC1KMT2AMEN1ALDH1A1LMNA
SCHEMBL2615559 0.74 G6PC1 (0.57) G6PC1KMT2AMEN1ALDH1A1LMNA
SCHEMBL6152133 0.72 G6PC1 (0.41) G6PC1KMT2AMEN1TRPM8ALOX5
SCHEMBL3091960 0.69 NOS2 (0.60) ALDH1A1LMNAMAPK1HTTL3MBTL1
SCHEMBL6901967 0.69 NOS2 (0.60) ALDH1A1LMNAMAPK1HTTL3MBTL1
SCHEMBL6901975 0.69 NOS2 (0.60) ALDH1A1LMNAMAPK1HTTL3MBTL1

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-2019183600-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-26 — — WO disclosed
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