SCHEMBL28986402

SCHEMBL28986402

CC(O)Nc1ccccc1S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 4/20 0.52
TP53 P04637 4/20 0.52
CETP P11597 8/20 0.39
MDM2 Q00987 2/20 0.38
TDP1 Q9NUW8 1/20 0.34
IDO1 P14902 1/20 0.34
CHRM2 P08172 1/20 0.33
ADRA1A P35348 1/20 0.33
RGS12 O14924 1/20 0.33
GLA P06280 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL10674706 0.81 MDM4 (0.50) MDM4TP53CETPMDM2TDP1
SCHEMBL2204567 0.77 GABRA1 (0.43) TP53TDP1IDO1CYP3A4ALOX15
SCHEMBL26385190 0.77 NPC1 (0.48) TDP1MAPT
SCHEMBL2230553 0.77 NPC1 (0.48) TDP1MAPT
SCHEMBL9297138 0.76 MAPT (0.43) TP53TDP1CYP3A4CYP2D6CYP2C9
SCHEMBL15742977 0.76 KMT2A (0.49) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL28191118 0.76 L3MBTL1 (0.44) TP53ADRA1AADRA2CMEN1KMT2A
SCHEMBL11520827 0.76 KCNQ2 (0.44) CYP2C19MEN1KMT2AMAPT
SCHEMBL31753773 0.75 ALDH1A1 (0.50) TDP1TSHRMEN1KMT2AMAPT
SCHEMBL143227 0.74 ALDH1A1 (0.34) MDM4TP53TDP1IDO1GLA

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-115990277-A Silica-based fluorescent nanoparticles 斯隆-凯特林癌症研究院 2023-04-21 CN disclosed