SCHEMBL8628496

SCHEMBL8628496

Nc1ccc2c(N)nc3ccccc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.54
DCPS Q96C86 1/20 0.52
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ACHE P22303 3/20 0.47
GLA P06280 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
ADORA3 P0DMS8 2/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
CHRM1 P11229 1/20 0.47
NQO2 P16083 1/20 0.47
MAOA P21397 1/20 0.47
DRD1 P21728 1/20 0.47
SLC6A2 P23975 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL8630481 0.86 MDM4 (0.47) CLK1DCPSKDM4EALDH1A1HPGD
SCHEMBL29583288 0.83 DCPS (0.64) CLK1DCPSKDM4EALDH1A1HPGD
SCHEMBL72801 0.83 DCPS (0.64) CLK1DCPSKDM4EALDH1A1HPGD
SCHEMBL12733642 0.81 CLK1 (0.51) CLK1DCPSKDM4EALDH1A1HPGD
SCHEMBL840416 0.81 CLK1 (0.51) CLK1DCPSKDM4EALDH1A1HPGD
SCHEMBL27895170 0.77 KMT2A (0.59) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL313145 0.76 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL15896262 0.76 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4163642 0.74 KDM4E (0.72) DCPSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4154837 0.74 KDM4E (0.72) DCPSKDM4EALDH1A1HPGDHSD17B10

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-0614915-B1 Polymer scale preventive agent SHINETSU CHEMICAL CO (JP) 1998-06-24 EP disclosed
US-5420214-A Process to prevent scale adhesion using condensation product of a diamino heterocyclic and a quinone SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-05-30 US disclosed
EP-0614915-A1 Polymer scale preventive agent Shin-Etsu Chemical Co., Ltd. (JP) 1994-09-14 EP disclosed