SCHEMBL13430985

SCHEMBL13430985

NNC(=S)C(=O)Nc1ccccc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL30140772 0.80 GRIN2D (0.55) ALDH1A1POLBTDP1L3MBTL1SMN1; SMN2
SCHEMBL7819531 0.80 KMT2A (0.59) ALDH1A1POLBTDP1L3MBTL1SMN1; SMN2
SCHEMBL194876 0.80 MEN1 (0.62) ALDH1A1POLBTDP1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL9004750 0.79 MEN1 (0.60) ALDH1A1POLBTDP1L3MBTL1SMN1; SMN2
SCHEMBL20827124 0.78 POLB (0.59) ALDH1A1POLBSMN1; SMN2GAARAB9A
SCHEMBL167598 0.78 GRIN2D (0.60) ALDH1A1POLBTDP1L3MBTL1SMN1; SMN2
SCHEMBL29958946 0.78 GRIN2D (0.60) ALDH1A1POLBTDP1L3MBTL1SMN1; SMN2
SCHEMBL3415036 0.77 RAB9A (0.58) ALDH1A1POLBSMN1; SMN2HPGDGAA
SCHEMBL29838402 0.76 GRIN2D (0.58) ALDH1A1POLBTDP1L3MBTL1SMN1; SMN2
SCHEMBL1605118 0.76 GRIN2D (0.58) ALDH1A1POLBTDP1L3MBTL1SMN1; 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
WO-2010036147-A1 BIOLOGICALLY ACTIVE AGENTS THAT SUPPRESS PATHOGENIC BACTERIA AND A METHOD FOR PRODUCING SAID AGENTS GINCBURG ALEKSANDR LEONIDOVICH (RU) 2010-04-01 WO disclosed