SCHEMBL9405381

SCHEMBL9405381

COc1ccc(-c2cc(OC)c(OC)cc2CC(=O)N2CCN(c3cccc(Cl)c3C)CC2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MAPT P10636 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ ADAMTS5 Q9UNA0 1/20 0.44
▸ TACR1 P25103 1/20 0.44
▸ TSHR P16473 1/20 0.43

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
SCHEMBL27410454 0.88 MEN1 (0.46) MEN1KMT2AMAPTTP53THRB
SCHEMBL8728965 0.86 THRB (0.62) MEN1KMT2AMAPTTHRBMAPK1
SCHEMBL7267419 0.82 HTR7 (0.48) MAPTKDM4EHTR7TSHR
SCHEMBL7268609 0.74 HTR7 (0.46) MAPTMAPK1KDM4EHTR7TSHR
SCHEMBL7268521 0.73 ADRA1D (0.50) MAPTKDM4EHTR7TSHR
SCHEMBL8604985 0.73 MEN1 (0.47) MEN1KMT2AMAPTTP53THRB
SCHEMBL21855757 0.72 ADAMTS5 (0.58) MEN1KMT2AMAPTLMNAKDM4E
SCHEMBL3729013 0.70 CXCR3 (0.75) MAPTTP53THRBLMNAKDM4E
SCHEMBL7267422 0.70 HTR7 (0.42) MAPTKDM4EHTR7TSHR
SCHEMBL30964241 0.69 HTR1A (0.51) MEN1KMT2AMAPTTHRBMAPK1

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
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 — — EP disclosed
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