SCHEMBL29636185

SCHEMBL29636185

CCOC(=O)c1cc2c([nH]1)C=CNC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
MMP13 P45452 5/20 0.39
MMP2 P08253 4/20 0.39

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
SCHEMBL1392811 0.69 HRH4 (0.51) HRH3ALDH1A1KDM4ERAB9AHPGD
SCHEMBL1004793 0.69 HRH4 (0.48) HRH3ALDH1A1KDM4ERAB9AHPGD
SCHEMBL13562340 0.69 HRH3 (0.43) HRH3ALDH1A1KDM4ERAB9AHPGD
SCHEMBL975741 0.69 HRH3 (0.46) HRH3ALDH1A1KDM4ERAB9AHPGD
SCHEMBL19658017 0.68 MAPT (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT
SCHEMBL28359795 0.68 KDM4E (0.46) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL24851409 0.68 HRH4 (0.50) HRH3ALDH1A1KDM4ERAB9AHPGD
SCHEMBL1005493 0.68 HRH3 (0.45) HRH3ALDH1A1KDM4ERAB9AHPGD
SCHEMBL21310107 0.68 HRH4 (0.50) HRH3ALDH1A1KDM4ERAB9AHPGD
SCHEMBL22509467 0.68 HRH4 (0.50) HRH3ALDH1A1KDM4ERAB9AHPGD

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-111704610-B Pyrrolylamido pyridone compounds, preparation method and application 上海凌达生物医药有限公司 2022-03-22 CN disclosed