SCHEMBL6678046

SCHEMBL6678046

COc1ccc2c(C(F)(F)F)c([N+](=O)[O-])c(=O)n(CN3C(=O)c4ccccc4C3=O)c2c1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
LMNA P02545 4/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 5/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.35
MASP2 O00187 1/20 0.35
F2 P00734 1/20 0.35
AGTR1 P30556 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
TLR9 Q9NR96 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL6678043 0.83 LMNA (0.39) RAB9ALMNAPKMALDH1A1HPGD
SCHEMBL6679445 0.79 KMT2A (0.40) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL6675265 0.67 CYP19A1 (0.47) ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL6679443 0.63 TP53 (0.51) LMNAALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL6677069 0.62 CYP19A1 (0.50) RAB9AALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL28396699 0.62 TP53 (0.50) PKMALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL4322779 0.60 RAB9A (0.58) RAB9ALMNAALDH1A1HPGDAGTR1
SCHEMBL6675911 0.59 RXFP1 (0.62) RAB9AALDH1A1HTTMAPTNPSR1
SCHEMBL6678243 0.59 RAB9A (0.58) RAB9ALMNAPKMALDH1A1HTT
SCHEMBL27686975 0.59 TDP1 (0.46) RAB9ALMNAPKMALDH1A1SMN1; SMN2

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-1181341-B1 LUMINESCENT 4-TRIFLUOROMETHYL-2-QUINOLONES WITH LONG-WAVE UV-ABSORPTION AND THE USE THEREOF URAY GEORG (AT) 2004-10-27 EP disclosed