SCHEMBL30895705

SCHEMBL30895705

COC(=O)c1[nH]nc2cccc(F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
PARP1 P09874 2/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 1/20 0.39
ALPL P05186 2/20 0.38
KDM4E B2RXH2 3/20 0.38
STAT3 P40763 1/20 0.38
HIF1A Q16665 1/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 1/20 0.36
MMP13 P45452 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL30895708 0.83 KDM4C (0.42) KDM4CPARP1ALDH1A1LMNAALPL
SCHEMBL20544984 0.82 ALDH1A1 (0.45) KDM4CALDH1A1LMNAKDM4ESTAT3
SCHEMBL28662611 0.77 ALDH1A1 (0.42) KDM4CALDH1A1LMNAKDM4EHIF1A
SCHEMBL20545378 0.76 AHR (0.46) KDM4CALDH1A1LMNAALPLKDM4E
SCHEMBL3406540 0.74 KDM4E (0.53) KDM4CALDH1A1LMNAALPLKDM4E
SCHEMBL2862825 0.73 KDM4E (0.59) KDM4CLMNAALPLKDM4ESTAT3
SCHEMBL27242667 0.70 MAP2K4 (0.48) KDM4CPARP1ALDH1A1LMNAALPL
SCHEMBL2730590 0.69 MAPT (0.48) ALDH1A1LMNAKDM4EMAPTKMT2A
SCHEMBL16832920 0.68 NQO2 (0.54) PARP1KDM4EMAPTKMT2AGAA
SCHEMBL28100577 0.68 TACR3 (0.43) PARP1ALDH1A1KDM4EMAPTKMT2A

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-4385980-A1 INDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP disclosed