SCHEMBL30628320

SCHEMBL30628320

CCOC(=O)Cc1cccc(I)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
RAB9A P51151 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
IDO1 P14902 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP4Z1 Q86W10 1/20 0.42
F10 P00742 1/20 0.42
PAM P19021 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 2/20 0.41

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
SCHEMBL1273755 1.00 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL68412 0.88 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL2309460 0.84 EPHX2 (0.46) L3MBTL1RAB9AALDH1A1MAPK1KMT2A
SCHEMBL8043506 0.84 CYP4F2 (0.55) ALDH1A1CYP4Z1PPARGPPARA
SCHEMBL1107143 0.83 KMT2A (0.56) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL1515865 0.83 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL290279 0.83 SLC7A5 (0.55) SMN1; SMN2NPC1PKMNFKB1RAB9A
SCHEMBL12547461 0.82 ALDH1A1 (0.69) L3MBTL1IDO1ALDH1A1MAPK1PAM
SCHEMBL905142 0.81 CTBP2 (0.49) L3MBTL1SMN1; SMN2NPC1PKMNFKB1
SCHEMBL1401401 0.81 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2NPC1PKMNFKB1

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-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed