SCHEMBL8024983

SCHEMBL8024983

CON=C(C(=O)O)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 2/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
RAB9A P51151 9/20 0.48
NPC1 O15118 8/20 0.48
CDK5 Q00535 3/20 0.48
CDK5R1 Q15078 3/20 0.48
PKM P14618 3/20 0.48
MITF O75030 1/20 0.48
KMT2A Q03164 2/20 0.47
MAPT P10636 3/20 0.45
PAX8 Q06710 2/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL11247340 1.00 LMNA (0.52) LMNANAPRTP4HTML3MBTL1ALDH1A1
SCHEMBL8024978 1.00 LMNA (0.52) LMNANAPRTP4HTML3MBTL1ALDH1A1
SCHEMBL11251009 0.85 NPC1 (0.50) ALDH1A1CES2CES1RAB9ANPC1
SCHEMBL11251013 0.85 NPC1 (0.50) ALDH1A1CES2CES1RAB9ANPC1
SCHEMBL11255658 0.83 LMNA (0.47) LMNANAPRTP4HTML3MBTL1ALDH1A1
SCHEMBL11255656 0.83 LMNA (0.47) LMNANAPRTP4HTML3MBTL1ALDH1A1
SCHEMBL3263278 0.79 LMNA (0.59) LMNANAPRTP4HTML3MBTL1ALDH1A1
SCHEMBL22559238 0.79 LMNA (0.59) LMNANAPRTP4HTML3MBTL1ALDH1A1
SCHEMBL3263280 0.79 LMNA (0.59) LMNANAPRTP4HTML3MBTL1ALDH1A1
SCHEMBL11249560 0.79 NPC1 (0.44) ALDH1A1RAB9ANPC1CDK5CDK5R1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0675133-B1 13-Substituted milbemycin derivatives, their preparation and use SANKYO CO (JP) 2000-01-12 EP disclosed
US-5614470-A AGRICULTURAL ANTHELMINTIC, ACARICIDE, INSECTICIDE SANKYO COMPANY, LIMITED (JP) 1997-03-25 US disclosed
EP-0675133-A1 13-Substituted milbemycin derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1995-10-04 EP disclosed
US-4327213-A ANTIULCER AGENTS ACF Chemiefarma VA (NL) 1982-04-27 US disclosed