SCHEMBL23399550

SCHEMBL23399550

CCCc1c(-c2ccccc2)c(O)nn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 6/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 3/20 0.38
LMNA P02545 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GMNN O75496 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL23398626 0.92 MAPT (0.41) USP2CNR1CNR2RAB9ANPC1
SCHEMBL23398540 0.92 MAPT (0.44) USP2CNR1CNR2RAB9ANPC1
SCHEMBL23403272 0.91 CNR1 (0.47) USP2CNR1CNR2RAB9ANPC1
SCHEMBL23403539 0.88 RPA1 (0.46) USP2CNR1CNR2RAB9ANPC1
SCHEMBL23399733 0.88 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL23401710 0.88 NR4A3 (0.44) CNR1CNR2RAB9ANPC1SMN1; SMN2
SCHEMBL23401194 0.84 MAPT (0.42) USP2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL31500053 0.83 SMN1; SMN2 (0.58) USP2CNR1CNR2RAB9ANPC1
SCHEMBL23401271 0.83 ALDH1A1 (0.43) USP2MAPTTP53ALDH1A1LMNA
SCHEMBL23398991 0.81 MAPT (0.39) SMN1; SMN2KMT2AMAPTTP53ALDH1A1

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