SCHEMBL30772425

SCHEMBL30772425

CC(C)Nc1nc(-c2ccco2)nc2ccc(C#CCO)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.41
ACP1 P24666 1/20 0.39
KDM1A O60341 1/20 0.38
GBA1 P04062 3/20 0.37
GGPS1 O95749 1/20 0.37
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
ADORA3 P0DMS8 6/20 0.35
ADORA2A P29274 6/20 0.35
ADORA1 P30542 5/20 0.35
EGFR P00533 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ADORA2B P29275 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
THRB P10828 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
SCHEMBL2803755 1.00 PDE5A (0.41) PDE5AACP1KDM1AGBA1GGPS1
SCHEMBL3811994 0.87 PDE5A (0.46) PDE5AACP1KDM1AGBA1GGPS1
SCHEMBL3706548 0.87 PDE5A (0.47) PDE5AKDM1AGBA1ADORA3ADORA2A
SCHEMBL3706663 0.86 CCNE2 (0.48) PDE5AKDM1AGBA1MEN1MAPT
SCHEMBL3708230 0.84 PDE5A (0.61) PDE5AKDM1AGBA1MEN1MAPT
SCHEMBL13088248 0.84 PDE5A (0.47) PDE5AACP1KDM1AGBA1GGPS1
SCHEMBL3782101 0.80 GBA1 (0.47) PDE5AACP1GBA1MEN1KMT2A
SCHEMBL3782097 0.80 GBA1 (0.47) PDE5AACP1GBA1MEN1KMT2A
SCHEMBL2803161 0.78 PDE5A (0.47) PDE5AACP1KDM1AGBA1GGPS1
SCHEMBL3809901 0.75 PDE5A (0.49) PDE5AKDM1AGBA1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119932083-A Double-base pichia pastoris base editor and application 中国人民解放军军事科学院军事医学研究院 2025-05-06 CN disclosed
CN-118146151-A 4-Trifluoromethyl substituted quinoline and quinazoline compound and application thereof 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) 2024-06-07 CN disclosed
EP-2718755-B1 POLARIZING PHOTOCHROMIC ARTICLES TRANSITIONS OPTICAL INC (US) 2024-05-29 EP disclosed
WO-2024069121-A1 NETWORK-AGNOSTIC SYSTEM TO FACILITATE PEER-TO-PEER TRANSFERS IPCO 2012 LIMITED (GB) 2024-04-04 WO disclosed
US-20240104527-A1 NETWORK-AGNOSTIC SYSTEM TO FACILITATE PEER-TO-PEER TRANSFERS VOCALINK INTERNATIONAL LIMITED (GB) 2024-03-28 US disclosed