SCHEMBL23399028

SCHEMBL23399028

CCCCn1[nH]c(-c2cccc(C)c2)c(-c2ccccc2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 3/20 0.41
ALKBH3 Q96Q83 1/20 0.41
CNR2 P34972 2/20 0.40
TP53 P04637 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
PGR P06401 1/20 0.39
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39
THRB P10828 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
DPP4 P27487 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL23401728 0.94 KMT2A (0.43) KMT2AMEN1KDM4EALDH1A1ALKBH3
SCHEMBL23403082 0.92 ALKBH3 (0.42) KMT2AMEN1KDM4EALDH1A1ALKBH3
SCHEMBL23401690 0.88 MEN1 (0.55) KMT2AMEN1KDM4EALDH1A1DCTPP1
SCHEMBL23401128 0.87 KMT2A (0.49) KMT2AMEN1KDM4EALDH1A1ALKBH3
SCHEMBL23401860 0.87 KMT2A (0.49) KMT2AMEN1KDM4EALDH1A1ALKBH3
SCHEMBL23402170 0.87 ALKBH3 (0.44) KMT2AMEN1ALDH1A1ALKBH3CNR2
SCHEMBL23398851 0.86 ALKBH3 (0.39) KMT2AKDM4EALDH1A1ALKBH3THRB
SCHEMBL23399972 0.86 KMT2A (0.47) KMT2AMEN1KDM4EALDH1A1ALKBH3
SCHEMBL23402942 0.84 MEN1 (0.45) KMT2AMEN1KDM4EALDH1A1CNR2
SCHEMBL23400450 0.84 KMT2A (0.48) KMT2AMEN1KDM4EALDH1A1CNR2

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed