SCHEMBL30865993

SCHEMBL30865993

Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)c2ccccc2n1O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
SERPINE1 P05121 1/20 0.47
TRPV1 Q8NER1 3/20 0.46
PTGS2 P35354 1/20 0.45
EPHX2 P34913 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 3/20 0.44
NAMPT P43490 1/20 0.44
HTT P42858 1/20 0.44
THRB P10828 1/20 0.43
STING1 Q86WV6 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
SCHEMBL29240193 1.00 MAOB (0.51) MAOBSMN1; SMN2MAPTSERPINE1TRPV1
SCHEMBL30865983 0.82 HPGD (0.47) MAOBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL29240179 0.82 HPGD (0.47) MAOBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL30866008 0.77 ALDH1A1 (0.41) SMN1; SMN2MAPTKMT2ATP53HTT
SCHEMBL29240184 0.77 ALDH1A1 (0.41) SMN1; SMN2MAPTKMT2ATP53HTT
SCHEMBL13598018 0.76 NPC1 (0.66) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL30865984 0.74 SLC6A4 (0.41)
SCHEMBL29240181 0.74 SLC6A4 (0.41)
SCHEMBL15154310 0.73 SRC (0.51) MAOBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL20942216 0.72 TAF1 (0.58) MAOBSMN1; SMN2MAPTSERPINE1TRPV1

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
CN-117917400-A 2-Methyl-4-quinolinone compound, and pharmaceutical composition and application thereof 暨南大学 2024-04-23 CN disclosed