SCHEMBL30598786

SCHEMBL30598786

CNc1c([N+](=O)[O-])cnc2ccsc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
LMNA P02545 2/20 0.37
GALR2 O43603 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
SRC P12931 1/20 0.35
PDPK1 O15530 1/20 0.34
PARP1 P09874 1/20 0.34
PIP4K2C Q8TBX8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PKM P14618 2/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL3543082 1.00 POLB (0.37) POLBLMNAGALR2SMN1; SMN2PDE4A
SCHEMBL28471596 0.85 PDE4A (0.40) LMNASMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL15655816 0.81 GSK3B (0.48) LMNAKDM4EHPGDMEN1KMT2A
SCHEMBL17305955 0.80 PDPK1 (0.40) SMN1; SMN2PDE4APDE4BPDE4CPDE4D
SCHEMBL15655815 0.78 CDK2 (0.47) POLBLMNAPDE4APDE4BPDE4C
SCHEMBL3548733 0.77 AXL (0.42) PDPK1PARP1KDM4EMEN1KMT2A
SCHEMBL9837779 0.77 ALDH1A1 (0.45) LMNAPDE4APDE4BPDE4CPDE4D
SCHEMBL3544906 0.77 GPR35 (0.39) POLBSMN1; SMN2PDPK1PARP1KDM4E
SCHEMBL30488581 0.77 AXL (0.42) PDPK1PARP1KDM4EMEN1KMT2A
SCHEMBL15668241 0.77 MEN1 (0.38) PDE4BMEN1KMT2AMAPK1

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
CN-117263952-A Condensed-cyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-12-22 CN disclosed
CN-111836814-B Condensed-cyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-10-20 CN disclosed