SCHEMBL28804284

SCHEMBL28804284

C=C(c1ccccc1)c1cccc(CO[SiH3])c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.43
MRGPRX4 Q96LA9 14/20 0.40
TP53 P04637 3/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
KMT2A Q03164 1/20 0.40
NR4A2 P43354 1/20 0.38
PKM P14618 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL30420527 0.78 PRSS1 (0.53) TP53SMN1; SMN2RAB9AMEN1NPC1
SCHEMBL1745253 0.78 PRSS1 (0.53) TP53SMN1; SMN2RAB9AMEN1NPC1
SCHEMBL5991861 0.77 TP53 (0.48) MRGPRX4TP53MEN1KMT2A
SCHEMBL27140587 0.77 TRPA1 (0.48) F10MEN1KMT2A
SCHEMBL28151612 0.77 LOXL2 (0.56) NFKB1SMN1; SMN2MEN1KMT2A
SCHEMBL814654 0.74 MEN1 (0.52) MEN1KMT2A
SCHEMBL20298753 0.74 F10 (0.40) F10MRGPRX4TP53NFKB1NFKB2
SCHEMBL12802141 0.74 KAT6A (0.49) MEN1KMT2A
SCHEMBL21811989 0.72 MEN1 (0.50) MEN1KMT2A
SCHEMBL16105770 0.72 FOLH1 (0.42) MEN1KMT2A

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-110114377-B Novel compositions and methods for block copolymer self-assembly 默克专利有限公司 2022-06-03 CN disclosed