SCHEMBL30867648

SCHEMBL30867648

Nc1ccc2ccccc2c1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 1/20 0.39
TTBK1 Q5TCY1 2/20 0.39
TTBK2 Q6IQ55 1/20 0.39
KCNH2 Q12809 2/20 0.37
SCN9A Q15858 2/20 0.37
MAPK14 Q16539 1/20 0.37
SCN5A Q14524 1/20 0.37
ATM Q13315 2/20 0.37
LMNA P02545 1/20 0.37
CNR2 P34972 1/20 0.36
KCNJ11 Q14654 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL27976243 0.82 MAPT (0.50) KDM1AMAPTALDH1A1HPGDHSD17B10
SCHEMBL5623654 0.78 ALDH1A1 (0.50) MAPTALDH1A1HPGDHSD17B10GAA
SCHEMBL30867646 0.77 WDR5 (0.46) L3MBTL1SCN9AMAPK14LMNACNR2
Hydrochloric Acid SCHEMBL5967545 0.76 ALDH1A1 (0.48) MAPTRAB9AALDH1A1HPGDHSD17B10
SCHEMBL29854331 0.74 HPGD (0.52) L3MBTL1MAPTRAB9AMAPK14LMNA
SCHEMBL30867643 0.74 HDAC3 (0.46) MAPTMAPK14LMNACNR2KCNJ11
SCHEMBL14342957 0.74 GAA (0.40) KDM1AMAPTRAB9ALMNACA1
SCHEMBL22497614 0.72 ALDH1A1 (0.43) L3MBTL1MAPTRAB9AATMALDH1A1
SCHEMBL8125603 0.71 MAPT (0.46) KDM1AL3MBTL1MAPTRAB9AATM
SCHEMBL641043 0.70 L3MBTL1 (0.57) L3MBTL1MAPTRAB9AATMLMNA

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-114072207-B Bicyclic compounds 维瓦斯治疗公司 2024-03-29 CN disclosed