SCHEMBL23715855

SCHEMBL23715855

N=C(NC(O)C(Nc1cnccn1)c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
SLC10A1 Q14973 3/20 0.38
KDR P35968 2/20 0.38
PSMB5 P28074 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPKAPK2 P49137 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GCK P35557 1/20 0.34
LMNA P02545 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
PDPK1 O15530 1/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL17664346 0.74 S1PR3 (0.49) GAATHRB
SCHEMBL20157091 0.73 KMT2A (0.47) GAATHRBHPGDHSD17B10KDR
SCHEMBL4312347 0.68 MAPKAPK2 (0.56) GAATHRBHPGDHSD17B10ALDH1A1
SCHEMBL2054165 0.68 MAPKAPK2 (0.56) GAATHRBHPGDHSD17B10ALDH1A1
SCHEMBL17664408 0.66 DPP4 (0.45) ALDH1A1KMT2AKDM4ELMNA
SCHEMBL10435470 0.65 CFTR (0.50) GAAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15570094 0.65 GAA (0.51) GAATHRBHPGDHSD17B10PSMB5
SCHEMBL23780410 0.65 HDAC3 (0.41) HPGDHSD17B10ALDH1A1KMT2AMAPKAPK2
SCHEMBL23291971 0.65 HDAC3 (0.41) HPGDHSD17B10ALDH1A1KMT2AMAPKAPK2
Hydrochloric Acid SCHEMBL9596127 0.64 CFTR (0.49) GAAALDH1A1MEN1KMT2ASMN1; 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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed