SCHEMBL21863285

SCHEMBL21863285

COc1cccc(-n2cnc(C)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.51
FGFR1 P11362 1/20 0.48
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
CYP1A2 P05177 1/20 0.44
ACHE P22303 1/20 0.44
MGLL Q99685 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
POLB P06746 2/20 0.42

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
SCHEMBL16202001 0.81 CYP1A2 (0.48) MAPTHTTCYP1A2ACHEMGLL
SCHEMBL16202014 0.81 ALDH1A1 (0.45) ALDH1A1MAPTACHEMGLLADORA3
SCHEMBL21849282 0.80 NOTUM (0.51) NOTUMFGFR1ALDH1A1MAPTNPC1
SCHEMBL21849777 0.80 NOTUM (0.48) NOTUMFGFR1ALDH1A1MAPTNPC1
SCHEMBL21531873 0.78 MAPK1 (0.48) NOTUMFGFR1ALDH1A1MAPTNPC1
SCHEMBL21863282 0.78 KEAP1 (0.47) NOTUMACHEMGLLPI4KAPI4K2B
SCHEMBL7127572 0.78 MAPT (0.49) FGFR1ALDH1A1MAPTCYP1A2TP53
SCHEMBL30186345 0.78 FGFR1 (0.44) FGFR1ALDH1A1MAPTACHETP53
SCHEMBL16202012 0.78 NOTUM (0.47) NOTUMFGFR1ALDH1A1MAPTNPC1
SCHEMBL21816160 0.77 MAPT (0.58) NOTUMALDH1A1MAPTMGLLPOLB

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-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed