SCHEMBL30625698

SCHEMBL30625698

O=C(Nc1ccc2c(c1)[nH]c(=O)c1ccccc12)c1ccccc1-c1ccccc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.83
▸ MEN1 O00255 1/20 0.83
▸ CYP1A2 P05177 1/20 0.83
▸ CYP3A4 P08684 1/20 0.83
▸ CYP2C9 P11712 1/20 0.83
▸ KMT2A Q03164 1/20 0.83
▸ TDP1 Q9NUW8 1/20 0.83
▸ BRD4 O60885 3/20 0.56
▸ TP53 P04637 1/20 0.55
▸ CHRNB2 P17787 2/20 0.55
▸ CHRNB4 P30926 2/20 0.55
▸ CHRNA3 P32297 2/20 0.55
▸ CHRNA4 P43681 2/20 0.55
▸ HTT P42858 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ PARP1 P09874 3/20 0.50
▸ GAA P10253 2/20 0.49
▸ POLB P06746 1/20 0.49

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
SCHEMBL2583091 0.91 CYP2C9 (1.00) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL30516131 0.91 CYP2C9 (1.00) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL22173221 0.80 MAPT (0.68) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL17273902 0.80 KMT2A (0.70) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL30625697 0.74 TP53 (0.55) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL1017796 0.73 CHRNB2 (1.00) KDM4EMEN1CYP3A4CYP2C9KMT2A
SCHEMBL2571007 0.72 CHRNB2 (0.73) KDM4ECYP3A4CYP2C9TP53CHRNB2
SCHEMBL13329267 0.71 LMNA (0.78) KDM4ECYP1A2KMT2ATP53CHRNB2
SCHEMBL20772457 0.71 MAPT (0.62) KDM4EMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL30832878 0.71 MAPT (0.62) KDM4EMEN1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3548022-B1 COMPOSITIONS FOR MODULATING PD-1 SIGNAL TRANSDUCTION UNIV RES INST INC AUGUSTA (US) 2023-11-22 — — EP claimed
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