SCHEMBL8226641

SCHEMBL8226641

CC[C@H](C)CC(Sc1ccccn1)=C1CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.40
EHMT1 Q9H9B1 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
HSD17B10 Q99714 2/20 0.35
ALDH1A1 P00352 7/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL8230727 0.78 KMT2A (0.40) EHMT2EHMT1APOBEC3GKMT2AMEN1
SCHEMBL10035712 0.78 LMNA (0.44) EHMT2EHMT1APOBEC3GKMT2AMEN1
SCHEMBL10066895 0.78 LMNA (0.44) EHMT2EHMT1APOBEC3GKMT2AMEN1
SCHEMBL26006077 0.67 ALDH1A1 (0.49) EHMT2EHMT1APOBEC3GKMT2AMEN1
SCHEMBL10035713 0.67 HPGD (0.40) EHMT2EHMT1APOBEC3GKMT2AMEN1
SCHEMBL4909274 0.66 EHMT2 (0.55) EHMT2EHMT1APOBEC3GKMT2AMEN1
SCHEMBL20131103 0.66 EHMT2 (0.55) EHMT2EHMT1APOBEC3GKMT2AMEN1
SCHEMBL256693 0.65 EHMT2 (0.48) EHMT2EHMT1APOBEC3GKMT2AMEN1
Methyl Alcohol SCHEMBL28484914 0.65 EHMT2 (0.90) EHMT2EHMT1APOBEC3GKMT2AMEN1
SCHEMBL5663672 0.65 EHMT2 (0.53) EHMT2EHMT1APOBEC3GKMT2AMEN1

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
WO-2008006113-A2 NOVEL BELACTOSIN DERIVATIVES AS THERAPEUTIC AGENTS/BIOLOGICAL PROBES AND THEIR SYNTHESIS THE TEXAS A & M UNIVERSITY SYSTEM (US) 2008-01-10 WO disclosed