SCHEMBL29756362

SCHEMBL29756362

COc1ccc(-c2cc3c([nH]c4ccc(C)cc43)c(C)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 3/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
DYRK1A Q13627 5/20 0.50
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
EGFR P00533 1/20 0.45
KDR P35968 1/20 0.45
MAPT P10636 8/20 0.45
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43
LMNA P02545 2/20 0.42
JAK2 O60674 2/20 0.42

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
SCHEMBL29756406 0.84 PTPN5 (0.52) KDM4ERAB9AALDH1A1NPC1HPGD
SCHEMBL29756454 0.84 DYRK1A (0.45) KDM4ERAB9AALDH1A1NPC1HPGD
SCHEMBL29756387 0.83 CHEK2 (0.50) RAB9ANPC1DYRK1AMEN1KMT2A
SCHEMBL21219204 0.74 KDM4E (0.51) KDM4ERAB9AALDH1A1NPC1HPGD
Glycozoline SCHEMBL11981403 0.72 ALDH1A1 (0.81) KDM4ERAB9AALDH1A1NPC1HPGD
SCHEMBL6123447 0.72 MAOA (0.68) KDM4EALDH1A1HPGDSMN1; SMN2DYRK1A
SCHEMBL677993 0.71 EGFR (0.47) KDM4ERAB9AALDH1A1NPC1HPGD
SCHEMBL27255881 0.71 KDM4E (0.59) KDM4ERAB9AALDH1A1NPC1HPGD
SCHEMBL1921071 0.70 KDM4E (0.47) KDM4ERAB9AALDH1A1NPC1HPGD
SCHEMBL22719994 0.69 BCHE (0.40) KDM4ERAB9AALDH1A1NPC1HPGD

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
CN-110382496-B Substituted pyrido [3,4-b ] indoles for the treatment of cartilage disorders 赛诺菲 2022-08-09 CN disclosed