SCHEMBL25925219

SCHEMBL25925219

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 17/20 0.62
▸ PDE6C P51160 3/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ PDE1A P54750 2/20 0.62
▸ PDE1B Q01064 2/20 0.62
▸ PDE1C Q14123 2/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.60
▸ PDE3A Q14432 2/20 0.59
▸ PDE2A O00408 1/20 0.59
▸ ABCC4 O15439 1/20 0.59
▸ ABCC5 O15440 1/20 0.59
▸ PDE6D O43924 1/20 0.59
▸ PDE8A O60658 1/20 0.59
▸ PDE9A O76083 1/20 0.59
▸ ABCB11 O95342 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ HTR1A P08908 1/20 0.59

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
SCHEMBL23370736 0.91 KMT2A (0.64) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL23370650 0.89 PDE5A (0.66) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL19942814 0.88 PDE5A (0.70) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL15071441 0.85 PDE5A (0.67) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL23370752 0.85 KMT2A (0.57) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL24199882 0.84 PDE5A (0.71) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL24893800 0.84 KMT2A (0.73) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL6497379 0.83 PDE5A (0.79) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL6497382 0.83 PDE5A (0.79) PDE5APDE6CKMT2APDE1APDE1B
SCHEMBL30434848 0.83 PDE5A (0.79) PDE5APDE6CKMT2APDE1APDE1B

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-2023109513-A1 USE OF AILDENAFIL OR SALT THEREOF IN PREPARATION OF MEDICINE FOR PREVENTING OR TREATING ISCHEMIC BRAIN DAMAGE 真奥金银花药业有限公司 2023-06-22 — — WO disclosed
Send feedback