SCHEMBL18626323

SCHEMBL18626323

CCCCCC(CCC)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HDAC1 Q13547 4/20 0.43
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ TAS1R3 Q7RTX0 1/20 0.39
▸ TAS1R1 Q7RTX1 1/20 0.39
▸ KIF11 P52732 2/20 0.39
▸ TRPV3 Q8NET8 2/20 0.38
▸ MLYCD O95822 1/20 0.36
▸ SPHK2 Q9NRA0 1/20 0.36
▸ SPHK1 Q9NYA1 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL30857793 0.83 HDAC1 (0.48) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL5766910 0.78 CA1 (0.49) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL28320279 0.77 HDAC8 (0.43) HTTHDAC1
SCHEMBL24404172 0.77 HDAC8 (0.43) HTTHDAC1
SCHEMBL11458527 0.77 HDAC8 (0.43) HTTHDAC1
SCHEMBL17696535 0.76 CA12 (0.39) HTTSMN1; SMN2HDAC1CA12CA1
SCHEMBL25039583 0.76 GRIA4 (0.41) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL11848027 0.76 TAS1R3 (0.35) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL11859053 0.76 TAS1R3 (0.35) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL809800 0.75 ALDH1A1 (0.47) MEN1KMT2ALMNAHTTSMN1; 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
US-9593095-B2 Methods for the treatment of bacterial infections DUKE UNIVERSITY (US) 2017-03-14 — — US disclosed
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