SCHEMBL9054232

SCHEMBL9054232

O=C(O)N(CCc1ccccc1)C1CC1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
OPRM1 P35372 2/20 0.42
PKM P14618 1/20 0.42
ALOX5 P09917 1/20 0.41
SLC18A3 Q16572 1/20 0.40
GRM2 Q14416 1/20 0.39
GRM3 Q14832 1/20 0.39
KEAP1 Q14145 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL8520967 0.85 CTSD (0.54) CTSDMEN1KMT2ANPC1RAB9A
SCHEMBL8520968 0.85 CTSD (0.54) CTSDMEN1KMT2ANPC1RAB9A
SCHEMBL5142449 0.75 MEN1 (0.44) CTSDMEN1KMT2ANPC1RAB9A
SCHEMBL3459106 0.75 MEN1 (0.44) CTSDMEN1KMT2ANPC1RAB9A
SCHEMBL495877 0.75 MEN1 (0.44) CTSDMEN1KMT2ANPC1RAB9A
SCHEMBL14335155 0.74 CHRM1 (0.57) OPRM1PKM
SCHEMBL14335152 0.74 CHRM1 (0.57) OPRM1PKM
SCHEMBL16908761 0.72 C5AR1 (0.51) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL9618427 0.71 HSD11B1 (0.49) CTSDKMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL17556835 0.71 CTSD (0.43) CTSDMEN1KMT2ANPC1RAB9A

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
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 WO disclosed