SCHEMBL29658702

SCHEMBL29658702

CCc1c(C)c(O)nc(O)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALOX15 P16050 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KDM5A P29375 2/20 0.36
CYP1A2 P05177 1/20 0.36
FPR1 P21462 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MDM2 Q00987 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 4/20 0.33

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
SCHEMBL19716478 1.00 MAPT (0.40) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL19734742 0.88 MAPT (0.37) MAPTGAAKDM4EALDH1A1HPGD
Ammonia Solution, Strong SCHEMBL19717426 0.86 MAPT (0.36) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL7238065 0.77 ALDH1A1 (0.36) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL19734735 0.77 ALDH1A1 (0.43) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL4650747 0.72 KDM4E (0.36) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL19734743 0.70 ALDH1A1 (0.33) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL29658711 0.69 ALDH1A1 (0.47) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL19716920 0.69 ALDH1A1 (0.47) MAPTGAAKDM4EALDH1A1HPGD
SCHEMBL11826533 0.69 ALDH1A1 (0.37) GAAKDM4EALDH1A1HPGDHSD17B10

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-109563043-B Substituted pyridines as inhibitors of DNMT1 葛兰素史密斯克莱知识产权发展有限公司 2022-05-31 CN disclosed