SCHEMBL30895708

SCHEMBL30895708

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.42
PARP1 P09874 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
NR4A2 P43354 1/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 2/20 0.39
STAT3 P40763 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ILK Q13418 1/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37

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
SCHEMBL20544984 0.83 ALDH1A1 (0.45) KDM4CALDH1A1LMNAELANEKDM4E
SCHEMBL30895705 0.83 KDM4C (0.41) KDM4CPARP1ALDH1A1LMNAKDM4E
SCHEMBL28662611 0.79 ALDH1A1 (0.42) KDM4CALDH1A1LMNAKDM4EHIF1A
SCHEMBL3406540 0.76 KDM4E (0.53) KDM4CALDH1A1LMNANR4A2KDM4E
SCHEMBL27387337 0.67 PARP1 (0.44) PARP1ELANE
SCHEMBL2907070 0.67 MAPT (0.52) PARP1ALDH1A1LMNAELANEKDM4E
SCHEMBL16832355 0.67 NQO2 (0.56) PARP1ALDH1A1NR4A2ELANEKDM4E
SCHEMBL27242596 0.67 KDM4E (0.62) KDM4CALDH1A1NR4A2ELANEKDM4E
SCHEMBL29146919 0.66 KDM4E (0.46) KDM4CPARP1ALDH1A1NR4A2KDM4E
SCHEMBL7646329 0.66 KMT2A (0.52) ALDH1A1KDM4EMEN1KMT2AHPGD

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