SCHEMBL8935803

SCHEMBL8935803

[CH2]CNC(=O)c1ccccc1N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.57
KDM4E B2RXH2 8/20 0.57
HPGD P15428 7/20 0.57
HSD17B10 Q99714 4/20 0.53
RCE1 Q9Y256 1/20 0.53
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
USP2 O75604 1/20 0.49
NSD2 O96028 2/20 0.49
CFTR P13569 1/20 0.48
LMNA P02545 1/20 0.48
FADS1 O60427 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PTGS1 P23219 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL27753433 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL31267447 0.84 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL8745364 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL11377492 0.81 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL866062 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL1202541 0.81 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL1561753 0.80 HPGD (0.66) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL112991 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10RCE1
SCHEMBL31267470 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10TP53
SCHEMBL3688021 0.79 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10TP53

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
CN-101189210-B Sulfonamide derivatives useful as liver carnitine palmitoyl transferase (L-CPTl) inhibitors HOFFMANN LA ROCHE 2012-06-06 CN disclosed
EP-0651769-A4 LEUKAEMIA INHIBITORY FACTOR-BINDING PROTEIN. AMRAD CORP LTD (AU) 1996-05-08 EP disclosed
EP-0651769-A1 LEUKAEMIA INHIBITORY FACTOR-BINDING PROTEIN AMRAD CORPORATION LIMITED (AU) 1995-05-10 EP disclosed
WO-1994001464-A1 LEUKAEMIA INHIBITORY FACTOR-BINDING PROTEIN AMRAD CORPORATION LIMITED (AU) 1994-01-20 WO disclosed