SCHEMBL21758048

SCHEMBL21758048

OCCCCCCc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(CCCCCCO)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HDAC2 Q92769 2/20 0.45
HDAC1 Q13547 1/20 0.45
RARB P10826 5/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RARA P10276 1/20 0.44
MTOR P42345 1/20 0.44
MGLL Q99685 1/20 0.43
CA2 P00918 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
BCHE P06276 1/20 0.42
LTA4H P09960 1/20 0.41
EPHX2 P34913 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
FFAR1 O14842 1/20 0.40
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL10001880 0.90 MEN1 (0.53) MEN1KMT2AHDAC2HDAC1RARB
SCHEMBL439590 0.88 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1CA2
SCHEMBL15844112 0.88 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1CA2
SCHEMBL8076691 0.86 TDP1 (0.56) MEN1KMT2AMAPTALDH1A1CA2
SCHEMBL279127 0.86 TDP1 (0.56) MEN1KMT2AMAPTALDH1A1CA2
SCHEMBL2312474 0.86 TDP1 (0.56) MEN1KMT2AMAPTALDH1A1CA2
SCHEMBL5534575 0.86 HDAC2 (0.57) MEN1KMT2AHDAC2HDAC1RARB
SCHEMBL5540196 0.86 HDAC2 (0.57) MEN1KMT2AHDAC2HDAC1RARB
SCHEMBL13383868 0.86 MEN1 (0.46) MEN1KMT2ARARBMAPTALDH1A1
SCHEMBL2307322 0.85 IGF1R (0.44) MEN1KMT2ARARBMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3960744-A1 CYCLOALKANE-CONDENSED POLYCYCLIC AROMATIC COMPOUND Kwansei Gakuin Educational Foundation (JP) 2022-03-02 EP disclosed
WO-2021230133-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2021-11-18 WO disclosed
WO-2020251049-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2020-12-17 WO disclosed
WO-2020040298-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, ILLUMINATION DEVICE, LUMINESCENT LAYER FORMING COMPOSITION, AND COMPOUND 学校法人関西学院 2020-02-27 WO disclosed