SCHEMBL13349883

SCHEMBL13349883

CCCCOc1c(C)c(C)nc2ccc(C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 7/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ ACHE P22303 1/20 0.38
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ATM Q13315 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ TLR8 Q9NR97 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 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
SCHEMBL13349766 0.86 NMT2 (0.48) ALDH1A1KDM4ENPC1GAARAB9A
SCHEMBL13107161 0.83 RAB9A (0.39) ALDH1A1KDM4ENPC1GAARAB9A
SCHEMBL13107201 0.83 KCNH2 (0.39) ALDH1A1KDM4ENPC1GAARAB9A
SCHEMBL13349805 0.80 LMNA (0.37) ALDH1A1KDM4ENPC1GAARAB9A
SCHEMBL3103639 0.78 L3MBTL1 (0.50) KDM4ELMNAHTTSMN1; SMN2MAPT
SCHEMBL2124437 0.78 KDM4E (0.46) ALDH1A1KDM4ELMNAHTTSMN1; SMN2
SCHEMBL13106409 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EGAAHTTMAPT
SCHEMBL14452725 0.72 CHRM4 (0.44) ALDH1A1KDM4ENPC1GAARAB9A
SCHEMBL13106408 0.71 PLA2G2A (0.50) ALDH1A1KDM4EKCNH2ACHEHPGD
SCHEMBL13107207 0.71 POLB (0.43) KDM4EGAAMEN1TSHRKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 — — US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 — — EP disclosed
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