SCHEMBL7538475

SCHEMBL7538475

Clc1nc(Cl)c2cc(Cl)sc2n1.Clc1nc(NCc2ccc3c(c2)OCCO3)c2cc(Cl)sc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.41
CLK4 Q9HAZ1 2/20 0.41
CHRM4 P08173 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
EGFR P00533 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38

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
SCHEMBL5119970 0.96 PDE5A (0.44) PDE5ACLK4CHRM4MEN1KMT2A
SCHEMBL5123186 0.89 PDE5A (0.50) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL5119638 0.85 CHRM4 (0.46) PDE5ACLK4CHRM4MEN1KMT2A
SCHEMBL5121525 0.84 ICAM1 (0.44) PDE5ACLK4CHRM4MEN1KMT2A
SCHEMBL5122246 0.82 USP1 (0.45) PDE5ACLK4CHRM4MEN1KMT2A
SCHEMBL5123611 0.81 PDE5A (0.47) PDE5ACLK4CHRM4MEN1KMT2A
SCHEMBL5124468 0.81 MAPT (0.46) PDE5ACLK4CHRM4MEN1KMT2A
SCHEMBL5815249 0.81 MAPT (0.58) PDE5ACLK4MEN1KMT2AALDH1A1
SCHEMBL27403243 0.81 PDE5A (0.44) PDE5ACLK4CHRM4MEN1KMT2A
SCHEMBL5130194 0.80 USP1 (0.44) PDE5AALDH1A1USP1WDR48

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
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed