SCHEMBL10722874

SCHEMBL10722874

CCCOc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.77
▸ LMNA P02545 2/20 0.71
▸ KDM4E B2RXH2 2/20 0.71
▸ ALDH1A1 P00352 2/20 0.71
▸ HSD17B10 Q99714 2/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ ALOX15 P16050 1/20 0.70
▸ KCNH2 Q12809 2/20 0.67

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
SCHEMBL12807818 0.88 LMNA (0.81) KMT2ALMNAKDM4EALDH1A1HSD17B10
SCHEMBL29819356 0.87 KCNH2 (0.81) KMT2ALMNAKDM4EALDH1A1HSD17B10
Laudanosine SCHEMBL29822950 0.83 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL30816021 0.83 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL466528 0.83 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL466529 0.83 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Laudanosine SCHEMBL6130845 0.83 LMNA (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1
Dimethylgrisabine SCHEMBL30735570 0.83 LMNA (0.84) KMT2ALMNAKDM4EALDH1A1HSD17B10
SCHEMBL21095124 0.83 LMNA (0.75) KMT2ALMNAKDM4EALDH1A1HSD17B10
SCHEMBL1389166 0.82 KDM4E (1.00) LMNAKDM4EALDH1A1HSD17B10MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-62242667-A — — None — — JP disclosed
JP-S62242667-A BENZYLISOQUINOLINE DERIVATIVE KAKEN SHIYOUYAKU KK 1987-10-23 — — JP disclosed
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