SCHEMBL23398581

SCHEMBL23398581

COc1ccc(-n2ncc(O)c2CC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 4/20 0.47
TP53 P04637 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
NPBWR1 P48145 8/20 0.43
MCHR1 Q99705 7/20 0.43
HIF1A Q16665 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL23399707 0.84 RAB9A (0.40) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL23400302 0.84 NPBWR1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL23399392 0.82 NR4A3 (0.48) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL23402385 0.81 ALDH1A1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL23398969 0.79 MAPT (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL23398442 0.78 NPBWR1 (0.47) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL23403588 0.76 PDE4D (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL23400062 0.76 TP53 (0.39) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL23401776 0.76 LMNA (0.38) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL23400582 0.75 SMN1; SMN2 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2HPGD

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed