SCHEMBL7869128

SCHEMBL7869128

C[SiH](C)OC[C@]1(C(C)(C)C)[C@@H](OC(=O)c2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
USP30 Q70CQ3 3/20 0.38
GPR119 Q8TDV5 3/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
CHRNA7 P36544 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
STS P08842 1/20 0.34

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
SCHEMBL7862514 0.76 CHRM2 (0.35) MEN1KMT2A
SCHEMBL145605 0.73 MEN1 (0.40) KDM4EPKMMEN1KMT2ACARM1
SCHEMBL1912989 0.67 MEN1 (0.62) KDM4EPKMMEN1KMT2AUSP30
SCHEMBL14390228 0.67 KDM4E (0.58) KDM4EPKMMEN1KMT2AUSP30
SCHEMBL9382114 0.67 KDM4E (0.58) KDM4EPKMMEN1KMT2AUSP30
SCHEMBL5116359 0.67 KDM4E (0.58) KDM4EPKMMEN1KMT2AUSP30
SCHEMBL28057184 0.66 KDM4E (0.48) KDM4EPKMMEN1KMT2AUSP30
SCHEMBL23527089 0.65 KDM4E (0.53) KDM4EPKMMEN1KMT2AUSP30
SCHEMBL23527087 0.65 KDM4E (0.53) KDM4EPKMMEN1KMT2AUSP30
SCHEMBL19023294 0.65 KDM4E (0.53) KDM4EPKMMEN1KMT2AUSP30

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
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed