SCHEMBL23370678

SCHEMBL23370678

CCCc1nn(C)c2c(=O)[nH]c(-c3cc(SN4CC(N(CCCO[N+](=O)[O-])CCCO[N+](=O)[O-])C4)ccc3OCC)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.56
▸ KMT2A Q03164 2/20 0.54
▸ POLB P06746 1/20 0.53
▸ PDE6C P51160 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ PDE1A P54750 2/20 0.52
▸ PDE1B Q01064 2/20 0.52
▸ PDE1C Q14123 2/20 0.52
▸ PDE3B Q13370 2/20 0.52
▸ PDE3A Q14432 2/20 0.52
▸ PDE2A O00408 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ ABCC5 O15440 1/20 0.52
▸ PDE6D O43924 1/20 0.52
▸ PDE8A O60658 1/20 0.52
▸ PDE9A O76083 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ PDE6A P16499 1/20 0.52

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
SCHEMBL23370752 0.89 KMT2A (0.57) PDE5AKMT2APOLBPDE6CKDM4E
SCHEMBL24430087 0.87 PDE5A (0.69) PDE5AKMT2APOLBPDE6CKDM4E
SCHEMBL23370738 0.86 PDE5A (0.55) PDE5AKMT2APOLBPDE6CKDM4E
SCHEMBL25925219 0.82 PDE5A (0.62) PDE5AKMT2APOLBPDE6CKDM4E
SCHEMBL23370736 0.82 KMT2A (0.64) PDE5AKMT2APOLBPDE6CKDM4E
SCHEMBL24430109 0.82 PDE5A (0.69) PDE5AKMT2APOLBPDE6CKDM4E
SCHEMBL23370650 0.80 PDE5A (0.66) PDE5AKMT2APOLBPDE6CKDM4E
SCHEMBL19942814 0.79 PDE5A (0.70) PDE5AKMT2APOLBPDE6CKDM4E
SCHEMBL24430119 0.79 PDE5A (0.71) PDE5AKMT2APDE6CKDM4EPDE1A
SCHEMBL23370766 0.79 PDE5A (0.71) PDE5AKMT2APDE6CKDM4EPDE1A

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-2021094830-A2 NITROGEN OXIDE-DONATING PDE-5 AND/OR PDE-6 INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2021-05-20 — — WO disclosed
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