SCHEMBL23399707

SCHEMBL23399707

Cc1ccc(-n2ncc(O)c2CC(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.40
NPC1 O15118 9/20 0.40
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 3/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL23399392 0.86 NR4A3 (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL23398581 0.84 NPC1 (0.47) RAB9ANPC1HIF1AALDH1A1SMN1; SMN2
SCHEMBL23402757 0.82 NPC1 (0.45) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL23400759 0.82 SMN1; SMN2 (0.47) RAB9ANPC1HIF1AALDH1A1SMN1; SMN2
SCHEMBL23402167 0.79 ALDH1A1 (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2MAPT
SCHEMBL23401626 0.78 HIF1A (0.39) RAB9ANPC1HIF1AALDH1A1SMN1; SMN2
SCHEMBL23402558 0.77 ALDH1A1 (0.42) RAB9ANPC1HIF1AALDH1A1SMN1; SMN2
SCHEMBL23399471 0.76 MEN1 (0.44) HIF1AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL23399749 0.76 HIF1A (0.42) RAB9ANPC1HIF1AALDH1A1SMN1; SMN2
SCHEMBL23399041 0.74 RAB9A (0.46) RAB9ANPC1HIF1AALDH1A1SMN1; 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