SCHEMBL23794877

SCHEMBL23794877

Cn1ccc(Nc2ccc(F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
SCN4A P35499 1/20 0.44
MAPK10 P53779 3/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
IGF1R P08069 1/20 0.42
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
LRRK2 Q5S007 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GCK P35557 1/20 0.40

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
SCHEMBL23794884 0.83 NPC1 (0.54) POLBMAPK10NPC1RAB9ALMNA
SCHEMBL9820200 0.81 NPC1 (0.46) POLBNPC1MEN1KMT2ARAB9A
SCHEMBL23794881 0.81 NPC1 (0.62) MAPK10NPC1MEN1KMT2ARAB9A
SCHEMBL23794883 0.81 DHODH (0.49) NPC1LRRK2
SCHEMBL20008777 0.80 MEN1 (0.44) SCN4AMAPK10NPC1MEN1KMT2A
SCHEMBL15885953 0.79 MKNK1 (0.43) POLBNPC1RAB9ALMNALRRK2
SCHEMBL9820240 0.79 NPC1 (0.46) NPC1MEN1KMT2ARAB9ALMNA
SCHEMBL9820163 0.79 ABCB11 (0.61) POLBNPC1MEN1KMT2ARAB9A
SCHEMBL15688182 0.77 LRRK2 (0.44) SCN4AMAPK10LMNAMAPK1IGF1R
SCHEMBL181171 0.76 LRRK2 (0.40) MAPK10NPC1RAB9ALMNAMAPK1

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-3876933-A1 NEUTROPHIL INFLAMMATION INHIBITOR AND USES THEREOF Chang Gung University of Science and Technology (TW) 2021-09-15 EP disclosed