SCHEMBL7174355

SCHEMBL7174355

Clc1nc(Cl)c2c3c(sc2n1)CCCC3.Clc1nc(NCc2ccc(Cl)c(Cl)c2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PDE5A O76074 1/20 0.46
LMNA P02545 2/20 0.45
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL7017142 0.96 HTT (0.56) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7171537 0.88 MAPT (0.50) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7170254 0.87 PDE5A (0.61) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7176810 0.87 KMT2A (0.48) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7168076 0.86 MAPT (0.56) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL5815269 0.85 MEN1 (0.48) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7404512 0.84 MAPT (0.53) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7016164 0.82 HTT (0.52) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL8205598 0.82 PDE5A (0.66) HTTKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL7506267 0.82 RNASEL (0.48) HTTKMT2AMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920431-B1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2003-02-26 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed