SCHEMBL31125232

SCHEMBL31125232

Nc1ccc(C(F)(F)F)c(C#CC2CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PTPN11 Q06124 1/20 0.39
▸ KIF11 P52732 1/20 0.37
▸ HTR2C P28335 2/20 0.35
▸ AR P10275 9/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL5492681 0.87 GLA (0.46) GAATSHRGLAPOLBPTPN11
SCHEMBL31125280 0.81 KDM1A (0.40) PTPN11HTR2CARKDM1A
SCHEMBL31357853 0.78 PTPN11 (0.41) PTPN11
SCHEMBL287497 0.75 PTPN11 (0.41) PTPN11ALDH1A1CRBNMAPK1
SCHEMBL30966827 0.75 CYP3A4 (0.42) GAATSHRPOLBPTPN11KDM4E
SCHEMBL31125223 0.73 KDM4E (0.46) GAAPTPN11ARKDM4EMEN1
SCHEMBL324114 0.72 GLA (0.55) GAATSHRGLAPOLBKIF11
SCHEMBL30084901 0.72 GLA (0.55) GAATSHRGLAPOLBKIF11
SCHEMBL16761967 0.71 TSHR (0.50) GAATSHRGLAPOLBHTR2C
SCHEMBL31125221 0.71 CYP3A4 (0.42) GAATSHRPOLBPTPN11KDM4E

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-118852145-A GSPT1 degradation agent and application thereof 南京圣和药业股份有限公司 2024-10-29 — — CN disclosed
Send feedback