SCHEMBL30827602

SCHEMBL30827602

Cc1ccc([N+](=O)[O-])c(Nc2ccc(Cl)nc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.47
▸ PIN1 Q13526 1/20 0.47
▸ FGFR4 P22455 3/20 0.46
▸ MAPT P10636 5/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ GSK3B P49841 2/20 0.42
▸ HSF1 Q00613 1/20 0.41
▸ RPS6KB2 Q9UBS0 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ FGFR2 P21802 1/20 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
SCHEMBL29310766 1.00 TNF (0.47) TNFPIN1FGFR4MAPTMEN1
SCHEMBL30079650 0.78 MAPT (0.60) PIN1FGFR4MAPTMEN1CYP1A2
SCHEMBL23927084 0.78 MAPT (0.60) PIN1FGFR4MAPTMEN1CYP1A2
SCHEMBL718271 0.78 MAPT (0.51) PIN1FGFR4MAPTMEN1CYP1A2
SCHEMBL10810171 0.77 GSK3B (0.58) PIN1MAPTMEN1CYP1A2CYP3A4
SCHEMBL17475834 0.77 FGFR4 (0.44) PIN1FGFR4MAPTMEN1CYP1A2
SCHEMBL30827642 0.76 TNF (0.52) TNFKMT2APIK3CANPC1RAB9A
SCHEMBL27252315 0.76 TNF (0.52) TNFKMT2APIK3CANPC1RAB9A
SCHEMBL31743939 0.76 MEN1 (0.48) PIN1MAPTMEN1CYP1A2CYP3A4
SCHEMBL12705359 0.75 FGFR4 (0.52) PIN1FGFR4MAPTMEN1CYP1A2

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-4590397-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF Astrazeneca AB (SE) 2025-07-30 — — EP disclosed
WO-2024062090-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 — — WO disclosed
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