SCHEMBL8177243

SCHEMBL8177243

COc1ccc(CNc2nc(-c3ccc(C(=O)O)cc3)nc3sc(Cl)cc23)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE5A O76074 8/20 0.47
PDE4B Q07343 2/20 0.44
PTGER4 P35408 1/20 0.43
PDE4D Q08499 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL8178327 0.94 MEN1 (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8177879 0.93 MEN1 (0.45) MEN1KMT2APDE5ABCDIN3D
SCHEMBL8177848 0.92 PDE5A (0.46) MEN1KMT2APDE5APDE4BPTGER4
SCHEMBL8185064 0.90 PDE5A (0.45) MEN1KMT2APDE5APDE4BPTGER4
SCHEMBL8183537 0.89 PDE5A (0.45) MEN1KMT2APDE5APDE4BPTGER4
SCHEMBL8178013 0.89 FYN (0.48) MEN1KMT2APDE5ACYP1A2CYP3A4
SCHEMBL8178577 0.88 PDE5A (0.47) MEN1KMT2APDE5APDE4BPTGER4
SCHEMBL5125325 0.87 PDE5A (0.48) MEN1KMT2APDE5ABCDIN3D
SCHEMBL8178389 0.86 MEN1 (0.52) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL8179358 0.85 MEN1 (0.44) MEN1KMT2APDE5ABCDIN3D

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-6130223-A Thienopyrimidine with phosphodiesterase V inhibiting effect MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-10-10 US disclosed