SCHEMBL29817852

SCHEMBL29817852

Nc1ccc(-c2cccc(F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 1.00
ESR2 Q92731 1/20 0.63
CYP3A4 P08684 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
HSD17B10 Q99714 1/20 0.54
MAP4K4 O95819 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP17A1 P05093 1/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
MAOA P21397 1/20 0.48
PTPN1 P18031 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
KIF11 P52732 1/20 0.47
MAOB P27338 2/20 0.46
CHEK2 O96017 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
SCHEMBL3787868 1.00 TAAR1 (1.00) TAAR1ESR2CYP3A4TDP1HSD17B10
SCHEMBL23704123 0.86 TAAR1 (0.76) TAAR1ESR2CYP3A4TDP1HSD17B10
SCHEMBL3790609 0.84 TAAR1 (0.72) TAAR1ESR2CYP3A4MAP4K4MAOA
SCHEMBL15605009 0.83 TAAR1 (0.71) TAAR1ESR2CYP3A4ALDH1A1CYP17A1
SCHEMBL777750 0.83 TAAR1 (0.71) TAAR1ESR2CYP3A4MAP4K4CYP17A1
SCHEMBL309757 0.83 TAAR1 (0.70) TAAR1CYP3A4TDP1HSD17B10MAP4K4
SCHEMBL14309787 0.83 TAAR1 (0.70) TAAR1CYP3A4TDP1HSD17B10MAP4K4
SCHEMBL14302425 0.83 TAAR1 (0.70) TAAR1CYP3A4TDP1HSD17B10MAP4K4
SCHEMBL198702 0.83 TAAR1 (0.68) TAAR1ESR2CYP3A4MAP4K4CYP17A1
SCHEMBL28716071 0.82 TAAR1 (0.68) TAAR1ESR2CYP3A4TDP1HSD17B10

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
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed