SCHEMBL30557271

SCHEMBL30557271

C=CC(=O)Oc1cccc(NC(=O)Nc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.55
MAPT P10636 6/20 0.55
NPC1 O15118 5/20 0.55
TP53 P04637 3/20 0.54
TSHR P16473 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.52
EPHX1 P07099 1/20 0.52
EPHX2 P34913 1/20 0.52
CDK9 P50750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
KMT2A Q03164 6/20 0.51
MEN1 O00255 5/20 0.51
HTT P42858 3/20 0.51
LMNA P02545 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MITF O75030 1/20 0.50
ALDH1A1 P00352 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
SCHEMBL21753720 0.86 SMN1; SMN2 (0.57) RAB9AMAPTNPC1TP53TSHR
SCHEMBL10946691 0.84 TGM2 (0.59) KMT2AMEN1ALDH1A1TGM2MAPK1
SCHEMBL28804343 0.83 KMT2A (0.46) RAB9AMAPTNPC1TP53TSHR
SCHEMBL25380688 0.81 KMT2A (0.66) RAB9AMAPTNPC1TP53TSHR
SCHEMBL29771009 0.81 KMT2A (0.66) RAB9AMAPTNPC1TP53TSHR
SCHEMBL30557302 0.81 KMT2A (0.50) RAB9AMAPTNPC1TP53TSHR
SCHEMBL29771005 0.80 EPHX2 (0.65) RAB9AMAPTNPC1TP53TSHR
SCHEMBL21810505 0.80 EPHX2 (0.65) RAB9AMAPTNPC1TP53TSHR
SCHEMBL22588908 0.79 CA12 (0.72) RAB9AMAPTNPC1TP53TSHR
SCHEMBL22356451 0.78 RHOA (0.55) RAB9ANPC1KMT2AMEN1HTT

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-112533967-B Oil-in-water droplet type emulsion of active energy ray-curable resin composition and thermosensitive recording material 日本化药株式会社 2023-09-15 CN disclosed