SCHEMBL23399535

SCHEMBL23399535

CCCc1nn(-c2ccc(C)cc2)c(O)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.40
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
DPP4 P27487 1/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 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
SCHEMBL23399678 0.95 USP2 (0.43) USP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23402528 0.93 MAPT (0.42) USP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23400228 0.92 USP2 (0.44) USP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23398488 0.89 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL23400015 0.87 DPP4 (0.41) USP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23400034 0.86 RPA1 (0.46) USP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23401400 0.86 CA1 (0.46) TP53ALDH1A1STAT1
SCHEMBL23398905 0.85 DPP4 (0.41) USP2NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23400191 0.83 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL23400262 0.83 CNR1 (0.47) USP2NPC1RAB9ASMN1; 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