SCHEMBL23398442

SCHEMBL23398442

COc1ccc(-n2ncc(O)c2C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 12/20 0.47
MCHR1 Q99705 9/20 0.47
HIF1A Q16665 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
S1PR4 O95977 1/20 0.46
S1PR1 P21453 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
PAX8 Q06710 1/20 0.46
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 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
SCHEMBL23749981 0.83 NPBWR1 (0.56) NPBWR1MCHR1HIF1ANPC1RAB9A
SCHEMBL23399749 0.82 HIF1A (0.42) NPBWR1HIF1ANPC1RAB9ASMN1; SMN2
SCHEMBL1567787 0.81 NPBWR1 (0.60) NPBWR1MCHR1HIF1ANPC1RAB9A
SCHEMBL23399455 0.80 MAPK1 (0.42) HIF1ANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23400582 0.79 SMN1; SMN2 (0.52) NPBWR1MCHR1HIF1ANPC1RAB9A
SCHEMBL1567467 0.78 NPBWR1 (0.61) NPBWR1MCHR1HIF1ANPC1RAB9A
SCHEMBL23398581 0.78 NPC1 (0.47) NPBWR1MCHR1HIF1ANPC1RAB9A
SCHEMBL23400302 0.75 NPBWR1 (0.46) NPBWR1MCHR1HIF1ANPC1RAB9A
SCHEMBL1566613 0.74 ALDH1A1 (0.54) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2
SCHEMBL23403380 0.74 LMNA (0.48) NPBWR1MCHR1NPC1RAB9ASMN1; SMN2

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