SCHEMBL28983266

SCHEMBL28983266

CCc1cc(C(=O)OCCCNCc2ccccc2)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ S1PR2 O95136 1/20 0.48
▸ S1PR1 P21453 1/20 0.48
▸ S1PR3 Q99500 1/20 0.48
▸ LPAR2 Q9HBW0 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SCN8A Q9UQD0 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ P4HB P07237 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NMT2 O60551 1/20 0.46
▸ NMT1 P30419 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ MITF O75030 1/20 0.44

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
SCHEMBL28553022 0.85 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AS1PR2S1PR1
SCHEMBL30375449 0.83 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AS1PR2S1PR1
SCHEMBL8356618 0.81 TDP1 (0.64) SMN1; SMN2KMT2AS1PR2S1PR1S1PR3
SCHEMBL28983251 0.78 S1PR2 (0.60) SMN1; SMN2MEN1KMT2AS1PR2S1PR1
SCHEMBL18538498 0.75 TDP1 (0.53) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL30285729 0.74 UNG (0.44) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL28997724 0.74 S1PR2 (0.51) SMN1; SMN2S1PR2S1PR1S1PR3LPAR2
SCHEMBL29000267 0.74 TDP1 (0.40) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL13438864 0.73 CA12 (0.61) SMN1; SMN2MEN1KMT2APOLBKDM4E
SCHEMBL28983268 0.73 SMN1; SMN2 (0.43) SMN1; SMN2MEN1KMT2ANPSR1MAPT

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-112759674-B Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2023-04-11 — — CN disclosed
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