SCHEMBL30417472

SCHEMBL30417472

O=Cc1c(N2CCNCC2)n(-c2cccc([N+](=O)[O-])c2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.45
▸ PDE4B Q07343 1/20 0.45
▸ PDE4C Q08493 1/20 0.45
▸ PDE4D Q08499 1/20 0.45
▸ HTR7 P34969 2/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ KDR P35968 1/20 0.42
▸ REN P00797 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ADRB1 P08588 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 2/20 0.39

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
SCHEMBL2348204 1.00 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DHTR7
SCHEMBL8291465 0.84 KDR (0.46) HTR7HTR1AKDRRENADRB1
SCHEMBL8291468 0.84 HTR6 (0.53) HTR7HTR1AKDRRENADRB1
SCHEMBL2340878 0.83 KDR (0.55) HTR7HTR1AKDRRENMEN1
SCHEMBL2348757 0.83 MAPT (0.43) KDRMEN1KMT2AMAPTHTR2A
SCHEMBL2345169 0.83 KDR (0.46) HTR7HTR1AKDRRENADRB1
SCHEMBL2341984 0.83 ADRB1 (0.52) HTR7HTR1AKDRRENMAPT
SCHEMBL2346517 0.83 REN (0.46) HTR7HTR1AKDRRENADRB1
SCHEMBL8291238 0.83 KDR (0.46) HTR7HTR1AKDRRENADRB1
SCHEMBL8292277 0.82 KDR (0.54) HTR7HTR1AKDRRENMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419094-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS Edison Oncology (US) 2024-08-28 — — EP disclosed
WO-2023069727-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF HYPERPROLIFERATIVE, INFLAMMATORY, AND IMMUNOLOGICAL DISEASES, AND INFECTIONS EDISON ONCOLOGY (US) 2023-04-27 — — WO disclosed
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