SCHEMBL30827809

SCHEMBL30827809

CCc1cccc2c(NCCc3ccc([N+](=O)[O-])cc3)cc(Cl)nc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.46
MAPT P10636 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
POLB P06746 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
CDK2 P24941 2/20 0.40
PKM P14618 2/20 0.40
CNR1 P21554 1/20 0.40
RORC P51449 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL23202829 1.00 PDE5A (0.46) PDE5AMAPTKDM4EMEN1ALDH1A1
SCHEMBL23202898 0.88 KMT2A (0.47) PDE5AMAPTKDM4EMEN1ALDH1A1
SCHEMBL30827818 0.88 KMT2A (0.47) PDE5AMAPTKDM4EMEN1ALDH1A1
SCHEMBL30827828 0.86 PDE5A (0.56) PDE5AMAPTKDM4EMEN1ALDH1A1
SCHEMBL23202919 0.86 PDE5A (0.56) PDE5AMAPTKDM4EMEN1ALDH1A1
SCHEMBL23202880 0.86 CCNC (0.44) PDE5AMAPTKDM4EMEN1ALDH1A1
SCHEMBL30827806 0.86 CCNC (0.44) PDE5AMAPTKDM4EMEN1ALDH1A1
SCHEMBL29199911 0.84 KMT2A (0.52) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL23202846 0.82 CCNC (0.55) PDE5AMAPTKDM4EMEN1ALDH1A1
SCHEMBL30827823 0.82 CCNC (0.55) PDE5AMAPTKDM4EMEN1ALDH1A1

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
EP-3802495-B1 4-(2-((2-CHLOROQUINOLIN-4-YL)AMINO)ETHYL)BENZENESULFONAMIDE DERIVATIVES AS STAT3 INHIBITORS FOR THE TREATMENT OF CANCER C&C RES LAB (KR) 2025-07-02 EP claimed
CN-112204010-B Heterocyclic derivatives and uses thereof C&C新药研究所 2024-03-19 CN claimed
CN-112204010-B Heterocyclic derivatives and uses thereof C&C新药研究所 2024-03-19 CN disclosed