SCHEMBL21401831

SCHEMBL21401831

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ G6PC1 P35575 1/20 0.45
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ LMNA P02545 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP2D6 P10635 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ CHRM2 P08172 1/20 0.34

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
SCHEMBL21401699 0.81 G6PC1 (0.46) G6PC1MEN1KMT2ATRPM8ALOX5
SCHEMBL21392785 0.76 G6PC1 (0.41) G6PC1MEN1KMT2ATRPM8ALOX5
SCHEMBL6911592 0.73 ALOX5 (0.44) G6PC1MEN1KMT2ATRPM8ALOX5
SCHEMBL6152133 0.71 G6PC1 (0.41) G6PC1MEN1KMT2ATRPM8ALOX5
SCHEMBL7373897 0.69 G6PC1 (0.57) G6PC1MEN1KMT2ALMNAMAPK1
SCHEMBL14667522 0.69 G6PC1 (0.57) G6PC1MEN1KMT2ALMNAMAPK1
SCHEMBL2615559 0.69 G6PC1 (0.57) G6PC1MEN1KMT2ALMNAMAPK1
SCHEMBL6901967 0.68 NOS2 (0.60) LMNAMAPK1HTTL3MBTL1CYP2D6
SCHEMBL3091960 0.68 NOS2 (0.60) LMNAMAPK1HTTL3MBTL1CYP2D6
SCHEMBL6901975 0.68 NOS2 (0.60) LMNAMAPK1HTTL3MBTL1CYP2D6

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
Send feedback