SCHEMBL28947748

SCHEMBL28947748

O=C1c2ccc(C#Cc3ccccc3)cc2C(=O)N1c1cc[c]cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.51
GRM5 P41594 12/20 0.48
ESR2 Q92731 1/20 0.43
MEN1 O00255 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SCN2A Q99250 1/20 0.39

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
SCHEMBL7678431 0.90 ESR1 (0.58) ESR1GRM5ESR2MEN1GFER
SCHEMBL16927161 0.90 GRM5 (0.54) ESR1GRM5ESR2MEN1GFER
SCHEMBL20716046 0.84 ALDH1A1 (0.55) ESR1GRM5MEN1KMT2ACA12
SCHEMBL16937189 0.84 GRM5 (0.51) ESR1GRM5MEN1KMT2ASCN2A
SCHEMBL13433471 0.84 GRM5 (0.51) ESR1GRM5MEN1KMT2ASCN2A
SCHEMBL2471106 0.83 ESR1 (0.63) ESR1GRM5ESR2MEN1GFER
SCHEMBL2625350 0.83 GRM5 (0.48) ESR1GRM5ESR2MEN1GFER
SCHEMBL28947805 0.81 ESR1 (0.46) ESR1ESR2MEN1KMT2ACA12
SCHEMBL29637688 0.81 CA9 (0.66) ESR1MEN1GFERKMT2ACA12
SCHEMBL13900300 0.81 CA9 (0.66) ESR1MEN1GFERKMT2ACA12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438244-A Crosslinkable organosiloxane modified reactive resins 瓦克化学股份公司 2023-07-14 CN disclosed
CN-115698139-A Crosslinkable organosiloxane-modified reaction resins 瓦克化学股份公司 2023-02-03 CN disclosed