SCHEMBL22902164

SCHEMBL22902164

C=C/C=C(\C=C/C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31

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
SCHEMBL23706960 0.89 MEN1 (0.38) MEN1KMT2APOLBKDM4ELMNA
SCHEMBL24751429 0.85 MAPT (0.36) MEN1KMT2AKDM4ELMNAMAPT
SCHEMBL6128461 0.84 MEN1 (0.39) MEN1KMT2APOLBKDM4ELMNA
SCHEMBL20198527 0.83 MEN1 (0.37) MEN1KMT2APOLBKDM4ELMNA
SCHEMBL21416438 0.83 PDK2 (0.32) —
SCHEMBL25061350 0.82 PDK2 (0.30) —
SCHEMBL22182136 0.81 — —
SCHEMBL20755611 0.80 PDK2 (0.32) —
SCHEMBL18801298 0.80 ALDH1A1 (0.31) KDM4EMAPTSMN1; SMN2
SCHEMBL26532061 0.79 MAPT (0.35) MEN1KMT2AKDM4EMAPTSMN1; SMN2

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-2826079-B1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-01-20 — — EP disclosed
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