SCHEMBL23400415

SCHEMBL23400415

CCc1c(O)c(C)nn1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
PDE4D Q08499 1/20 0.47
NR4A3 Q92570 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.45
APEX1 P27695 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4C Q9H3R0 1/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 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
SCHEMBL23402622 0.87 USP2 (0.49) POLBNPC1RAB9ALMNATSHR
SCHEMBL23402676 0.86 ALDH1A1 (0.42) POLBNPC1RAB9ALMNATSHR
SCHEMBL23398432 0.84 POLB (0.49) POLBNPC1RAB9ALMNATSHR
SCHEMBL23403699 0.84 ALDH1A1 (0.49) LMNAMAPK1ALDH1A1MAPT
SCHEMBL23403008 0.83 ALDH1A1 (0.51) POLBLMNATSHRPDE4DNR4A3
SCHEMBL13360872 0.82 POLB (0.49) POLBNPC1RAB9ALMNATSHR
SCHEMBL23400500 0.82 CACNA1H (0.47) POLBNPC1RAB9ALMNAPDE4D
SCHEMBL23398985 0.80 MEN1 (0.48) NPC1RAB9ALMNATSHRNR4A3
SCHEMBL23401167 0.80 HTT (0.43) RAB9ATSHRPDE4DSMN1; SMN2KDM4E
SCHEMBL23399595 0.79 LMNA (0.47) POLBNPC1RAB9ALMNATSHR

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