SCHEMBL23401005

SCHEMBL23401005

CC(C)n1ncc(-c2ccccc2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.39
NPC1 O15118 8/20 0.39
LPAR1 Q92633 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
BACE1 P56817 1/20 0.38
AHR P35869 1/20 0.38
MAPT P10636 4/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
BCL2L1 Q07817 1/20 0.36
PTGIR P43119 2/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 3/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 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
SCHEMBL23401600 0.84 NPC1 (0.40) RAB9ANPC1MAPTHPGDALDH1A1
SCHEMBL23400019 0.82 KMT2A (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL21135430 0.81 HTR2A (0.42) RAB9ANPC1LPAR1SMN1; SMN2AHR
SCHEMBL23399995 0.79 CYP1A2 (0.37) RAB9ANPC1SMN1; SMN2MAPTHPGD
SCHEMBL23400268 0.76 CREBBP (0.45) RAB9ANPC1LPAR1SMN1; SMN2BACE1
SCHEMBL23399704 0.75 HTR2A (0.40) SMN1; SMN2BACE1HPGDALDH1A1PTGIR
SCHEMBL23400784 0.75 PTGIR (0.46) RAB9ANPC1LPAR1SMN1; SMN2AHR
SCHEMBL7918572 0.75 PTGS2 (0.51) NPC1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL23401836 0.71 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2BACE1MAPT
SCHEMBL23401038 0.71 SMN1; SMN2 (0.39) RAB9ANPC1SMN1; SMN2BACE1MAPT

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