SCHEMBL29812976

SCHEMBL29812976

CCOC(=O)c1cc2c(C)cc(C)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
KDM4E B2RXH2 4/20 0.57
RAB9A P51151 4/20 0.56
ALDH1A1 P00352 3/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HSD17B10 Q99714 1/20 0.56
NPC1 O15118 3/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MMP13 P45452 6/20 0.48

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
SCHEMBL1761178 1.00 POLB (0.57) POLBKDM4ERAB9AALDH1A1HPGD
SCHEMBL11460466 0.86 KDM4E (0.55) POLBKDM4ERAB9AALDH1A1HPGD
SCHEMBL30995141 0.85 KDM4E (0.50) POLBKDM4ERAB9AALDH1A1HPGD
SCHEMBL23148030 0.85 KDM4E (0.50) POLBKDM4ERAB9AALDH1A1HPGD
SCHEMBL23147929 0.85 KDM4E (0.54) POLBKDM4ERAB9AALDH1A1HPGD
SCHEMBL23049623 0.85 ALOX15 (0.55) POLBKDM4ERAB9AALDH1A1HPGD
SCHEMBL29813118 0.85 KDM4E (0.54) POLBKDM4ERAB9AALDH1A1HPGD
SCHEMBL17429441 0.85 KDM4E (0.54) POLBKDM4ERAB9AALDH1A1HPGD
SCHEMBL23148112 0.84 KDM4E (0.50) POLBKDM4ERAB9AALDH1A1HPGD
SCHEMBL29813123 0.84 KDM4E (0.50) POLBKDM4ERAB9AALDH1A1HPGD

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-4034103-A1 INDOLE CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS The Global Alliance for TB Drug Development, Inc. (US) 2022-08-03 EP disclosed