SCHEMBL23398992

SCHEMBL23398992

Cc1cn(-c2ccccc2)nc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
ESR2 Q92731 1/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 6/20 0.45
ALDH1A1 P00352 5/20 0.45
HPGD P15428 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 1/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
KDM4E B2RXH2 3/20 0.43
USP2 O75604 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL11829511 0.83 RAB9A (0.42) RAB9ANPC1ESR2GAAMAPT
SCHEMBL23399106 0.83 NPC1 (0.47) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL23400202 0.81 ADORA3 (0.47) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL28561271 0.81 ALDH1A1 (0.53) RAB9ANPC1ESR2GAAMAPT
SCHEMBL5341410 0.81 RAB9A (0.50) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL7095866 0.80 KDM4E (0.50) RAB9ANPC1GAAMAPTALDH1A1
SCHEMBL25281653 0.78 ADORA1 (0.42) RAB9ANPC1ESR2MAPTALDH1A1
SCHEMBL11337983 0.78 ADORA1 (0.54) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL23399059 0.78 ADORA3 (0.45) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8688598 0.78 MAPT (0.55) RAB9ANPC1ESR2GAAMAPT

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