SCHEMBL28345480

SCHEMBL28345480

CCCc1cn(C)c(C(N)=O)c1NC(=O)c1cc(S(=O)(=O)N2CCC(CCc3ccccc3C(=O)O)CC2)ccc1OCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
PDE5A O76074 3/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 3/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
APEX1 P27695 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL20568334 0.88 PDE5A (0.43) KMT2AMEN1PDE5APOLBMAPK1
SCHEMBL20569128 0.85 PDE5A (0.49) KMT2AMEN1PDE5AHDAC1HDAC2
SCHEMBL20570181 0.82 KMT2A (0.46) KMT2AMEN1PDE5APOLBLMNA
SCHEMBL20567831 0.81 PDE5A (0.45) KMT2AMEN1PDE5APOLBLMNA
SCHEMBL20568084 0.77 PDE5A (0.49) KMT2AMEN1PDE5APOLB
SCHEMBL6475154 0.77 KMT2A (0.46) KMT2AMEN1PDE5APOLBTSHR
SCHEMBL6476218 0.76 MAPT (0.47) KMT2AMEN1MAPK1RAB9ARXFP1
SCHEMBL6644230 0.76 KMT2A (0.53) KMT2AMEN1PDE5APOLBTSHR
SCHEMBL20569063 0.76 PDE5A (0.45) KMT2AMEN1PDE5APOLBLMNA
SCHEMBL6482634 0.76 KMT2A (0.44) KMT2AMEN1PDE5APOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118063458-A Novel dual mode of action of soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-05-24 CN disclosed
CN-110621676-B Dual mode of action of soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2024-02-09 CN disclosed
CN-110621676-A Novel dual mode of action of soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof 托帕杜制药公司 2019-12-27 CN disclosed