SCHEMBL9345939

SCHEMBL9345939

CCOC(=O)NCC(C)NC(=O)c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 6/20 0.51
MAPT P10636 1/20 0.51
TP53 P04637 3/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.48
THRB P10828 1/20 0.48
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL9346961 0.90 KMT2A (0.60) LMNAKMT2AMEN1ALDH1A1MAPT
Nicaraven SCHEMBL31420006 0.86 KMT2A (0.66) LMNAKMT2AMEN1ALDH1A1TP53
Nicaraven SCHEMBL677580 0.86 KMT2A (0.66) LMNAKMT2AMEN1ALDH1A1TP53
Nicaraven SCHEMBL9346555 0.82 LMNA (0.63) LMNAKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL24567733 0.80 LMNA (0.67) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL21467402 0.80 LMNA (0.67) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL20026567 0.79 ALDH1A1 (0.57) LMNAKMT2AMEN1ALDH1A1MAPT
Nicaraven SCHEMBL9345376 0.79 KMT2A (0.57) LMNAKMT2AMEN1ALDH1A1MAPT
Nicaraven SCHEMBL9345911 0.79 KMT2A (0.57) LMNAKMT2AMEN1ALDH1A1MAPT
SCHEMBL9346966 0.79 RAB9A (0.63) LMNAKMT2AMEN1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376185-B1 Process for purification of 1,2-bis(nicotinamido)propane CHUGAI PHARMACEUTICAL CO LTD (JP) 1994-08-17 EP disclosed
US-5099022-A Process for purification of 1,2-bis(nicotinamido)propane CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1992-03-24 US disclosed
EP-0376185-A2 Process for purification of 1,2-bis(nicotinamido)propane Chugai Seiyaku Kabushiki Kaisha (JP) 1990-07-04 EP disclosed