SCHEMBL38179

SCHEMBL38179

COP(=O)(O)c1cc2nc(Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c2s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.46
RNASEH1 O60930 1/20 0.46
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
TYMP P19971 1/20 0.36
TYMS P04818 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
TSHR P16473 1/20 0.34
CDC7 O00311 1/20 0.34
CCNE1 P24864 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
SCHEMBL44200 0.87 PDE5A (0.63) PDE5ARAB9AMEN1NPC1PKM
SCHEMBL37495 0.78 RNASEH1 (0.46) PDE5ARNASEH1RAB9AMEN1KMT2A
SCHEMBL38180 0.77 PDE5A (0.60) PDE5ARNASEH1RAB9ALMNASMN1; SMN2
SCHEMBL38484 0.77 PDE5A (0.57) PDE5ARNASEH1RAB9AMEN1NPC1
SCHEMBL37644 0.76 PDE5A (0.53) PDE5ARNASEH1RAB9AMEN1NPC1
SCHEMBL38275 0.75 PDE5A (0.69) PDE5ARAB9AMEN1NPC1PKM
SCHEMBL46456 0.75 PDE5A (0.57) PDE5ARNASEH1RAB9AMEN1NPC1
SCHEMBL38381 0.74 PDE5A (0.47) PDE5ARNASEH1RAB9AMEN1NPC1
SCHEMBL38035 0.73 PDE5A (0.55) PDE5ARNASEH1RAB9AMEN1KMT2A
SCHEMBL38977 0.73 RNASEH1 (0.49) PDE5ARNASEH1RAB9AMEN1NPC1

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
WO-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO disclosed