SCHEMBL11538455

SCHEMBL11538455

COc1cc(C(=O)OC(COc2cccc3nc[nH]c23)CN2CCC(COc3ccccc3Cl)CC2)cc(OC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.36
DCPS Q96C86 4/20 0.36
METAP2 P50579 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DRD4 P21917 1/20 0.34
PDE4B Q07343 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
HRH1 P35367 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34

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
SCHEMBL11538452 0.89 TP53 (0.37) TP53ALPLALPIALPGSMN1; SMN2
SCHEMBL11538745 0.79 MEN1 (0.56) SMN1; SMN2DCPSMETAP2MEN1KMT2A
SCHEMBL11541253 0.75 DRD4 (0.38) DCPSDRD4
Hydrochloric Acid SCHEMBL11541088 0.75 P2RY1 (0.38) DCPSDRD4
SCHEMBL11537076 0.69 DRD4 (0.53) TSHRDRD4
Hydrochloric Acid SCHEMBL11370276 0.68 KMT2A (0.36) MEN1KMT2ADRD4PDE4BPDE4A
SCHEMBL11544386 0.66 HTR1A (0.47)
SCHEMBL11538737 0.66 MEN1 (0.56) MEN1KMT2ADRD4USP2HTT
Hydrochloric Acid SCHEMBL11370273 0.66 KMT2A (0.36) MEN1KMT2ADRD4PDE4BPDE4A
SCHEMBL10572054 0.66 SCN1A (0.49) TP53SMN1; SMN2TSHRDRD4

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
US-4146630-A HYPOTENSIVE AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1979-03-27 US disclosed