SCHEMBL5750183

SCHEMBL5750183

Nc1c2ccccc2c(C=O)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.52
KDM4E B2RXH2 5/20 0.46
THRB P10828 3/20 0.46
ERN1 O75460 3/20 0.42
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 3/20 0.41
GLA P06280 2/20 0.41
HPGD P15428 2/20 0.41
ACHE P22303 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CHRM1 P11229 1/20 0.41
NQO2 P16083 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41

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
SCHEMBL16582693 0.88 PADI4 (0.56) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL29588097 0.87 PADI4 (0.64) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL986883 0.87 PADI4 (0.64) PADI4KDM4ETHRBERN1ALDH1A1
Bromide SCHEMBL11303999 0.84 PADI4 (0.61) PADI4KDM4ETHRBERN1ALDH1A1
Iodide SCHEMBL9460922 0.84 PADI4 (0.61) PADI4KDM4ETHRBERN1ALDH1A1
Hydrochloric Acid SCHEMBL9397561 0.84 PADI4 (0.61) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL4776430 0.81 PADI4 (0.44) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL9511557 0.78 PADI4 (0.68) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL1666387 0.78 PADI4 (0.61) PADI4KDM4ETHRBERN1ALDH1A1
SCHEMBL11298425 0.78 RAB9A (0.46) PADI4KDM4ETHRBERN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed