SCHEMBL23399749

SCHEMBL23399749

Cc1ccc(-n2ncc(O)c2C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.42
RAB9A P51151 10/20 0.41
NPC1 O15118 7/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
ALDH1A1 P00352 6/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
KMT2A Q03164 1/20 0.39
XDH P47989 1/20 0.39
NPBWR1 P48145 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL23399455 0.84 MAPK1 (0.42) HIF1ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23398442 0.82 NPBWR1 (0.47) HIF1ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23401245 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL15839504 0.79 XDH (0.45) HIF1ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23399041 0.78 RAB9A (0.46) HIF1ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23402904 0.76 HSP90AA1 (0.43) HIF1ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23399707 0.76 RAB9A (0.40) HIF1ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23398906 0.74 PTGS2 (0.50) HIF1ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23400899 0.72 MEN1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HTT
SCHEMBL23400759 0.72 SMN1; SMN2 (0.47) HIF1ARAB9ANPC1SMN1; SMN2ALDH1A1

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