SCHEMBL11255658

SCHEMBL11255658

CNC(=O)C(=NOC)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 5/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
CDK5 Q00535 2/20 0.43
PAX8 Q06710 2/20 0.43
CDK5R1 Q15078 2/20 0.43
HPGD P15428 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
SCHEMBL11255656 1.00 LMNA (0.47) LMNAALDH1A1MEN1KMT2ARAB9A
SCHEMBL11247340 0.83 LMNA (0.52) LMNAALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL8024978 0.83 LMNA (0.52) LMNAALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL8024983 0.83 LMNA (0.52) LMNAALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL11251009 0.81 NPC1 (0.50) ALDH1A1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL11251013 0.81 NPC1 (0.50) ALDH1A1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL8819049 0.76 TSHR (0.47) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8539430 0.76 TSHR (0.47) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL563939 0.76 TSHR (0.47) ALDH1A1MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL27467526 0.75 LMNA (0.47) LMNAMEN1KMT2ARAB9ASMN1; SMN2

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-4327213-A ANTIULCER AGENTS ACF Chemiefarma VA (NL) 1982-04-27 US disclosed