SCHEMBL29615654

SCHEMBL29615654

COC(=O)c1ccc2[nH]c(C(C)(C)C)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 3/20 0.61
HTT P42858 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KIF11 P52732 2/20 0.50
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
RHEB Q15382 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 2/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CREBBP Q92793 1/20 0.46
HSD17B10 Q99714 1/20 0.45
PSMB8 P28062 1/20 0.45
RECQL P46063 1/20 0.44
ALOX15 P16050 1/20 0.43

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
SCHEMBL24507619 1.00 KDM4E (0.61) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL14336565 0.89 ALDH1A1 (0.78) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL2361138 0.87 KDM4E (0.60) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL9620029 0.87 KDM4E (0.80) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL22487928 0.84 SMN1; SMN2 (0.56) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL22648631 0.82 SMN1; SMN2 (0.43) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL1170648 0.82 KDM4E (0.61) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL13542738 0.82 ALDH1A1 (0.43) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL15625894 0.81 KDM4E (0.52) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL5032566 0.81 HSP90AA1 (0.53) KDM4EALDH1A1LMNAHTTL3MBTL1

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-4259607-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2023-10-18 EP disclosed
WO-2022123314-A1 BENZIMIDAZOLE DERIVATIVES FOR TREATING RESPIRATORY DISEASE TMEM16A LIMITED (GB) 2022-06-16 WO disclosed