SCHEMBL8230727

SCHEMBL8230727

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
HPGD P15428 3/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 1/20 0.40
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 6/20 0.36
RAB9A P51151 3/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
GRM2 Q14416 1/20 0.34
MAPT P10636 2/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL10035712 0.85 LMNA (0.44) KMT2AHPGDMEN1TSHREHMT2
SCHEMBL10066895 0.85 LMNA (0.44) KMT2AHPGDMEN1TSHREHMT2
SCHEMBL8226641 0.78 EHMT2 (0.40) KMT2AHPGDMEN1TSHREHMT2
SCHEMBL1607377 0.70 LMNA (0.51) KMT2AHPGDMEN1EHMT2EHMT1
SCHEMBL26006077 0.70 ALDH1A1 (0.49) KMT2AHPGDMEN1TSHREHMT2
SCHEMBL10035713 0.70 HPGD (0.40) KMT2AHPGDMEN1TSHREHMT2
SCHEMBL256693 0.68 EHMT2 (0.48) KMT2AHPGDMEN1TSHREHMT2
SCHEMBL4120039 0.68 ALDH1A1 (0.50) KMT2AHPGDMEN1EHMT2EHMT1
SCHEMBL7812413 0.67 EHMT2 (0.47) KMT2AHPGDMEN1TSHREHMT2
SCHEMBL464425 0.67 HPGD (0.49) KMT2AHPGDMEN1TSHREHMT2

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