SCHEMBL30890871

SCHEMBL30890871

C=Cc1cc2c(cc1C#Cc1cc3c(cc1OC)OCO3)OCO2

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.53
ALDH1A1 P00352 4/20 0.48
MITF O75030 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 3/20 0.42
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.35
ERN1 O75460 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL29198813 0.94 LMNA (0.47) LMNAHPGDALDH1A1MITFHSP90AA1
SCHEMBL29198714 0.94 LMNA (0.47) LMNAHPGDALDH1A1MITFHSP90AA1
SCHEMBL29198713 0.85 LMNA (0.69) LMNAHPGDALDH1A1MITFHSP90AA1
SCHEMBL30657001 0.85 LMNA (0.69) LMNAHPGDALDH1A1MITFHSP90AA1
SCHEMBL30657004 0.80 LMNA (0.61) LMNAHPGDALDH1A1MITFHSP90AA1
SCHEMBL29198710 0.80 LMNA (0.61) LMNAHPGDALDH1A1MITFHSP90AA1
SCHEMBL29198719 0.80 LMNA (0.61) LMNAHPGDALDH1A1MITFHSP90AA1
SCHEMBL30657007 0.77 MAOB (0.47) ALDH1A1MAPTHTTSMN1; SMN2KMT2A
SCHEMBL29198711 0.76 ALDH1A1 (0.42) HPGDALDH1A1MAPTCYP3A4MEN1
SCHEMBL14970263 0.73 MAPT (0.36) LMNAHPGDALDH1A1MAPTHTT

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-117069732-B Preparation method of benzo [ c ] phenanthridine natural product and derivative thereof 沈阳药科大学 2024-04-26 CN disclosed