SCHEMBL25132549

SCHEMBL25132549

CCOCCOCCn1c2ccccc2c2cc(N)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ KDM4E B2RXH2 3/20 0.62
▸ MAPK1 P28482 3/20 0.62
▸ HPGD P15428 2/20 0.62
▸ MAPT P10636 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ HBB P68871 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ SIGMAR1 Q99720 1/20 0.52
▸ PTGER4 P35408 2/20 0.46
▸ APP P05067 2/20 0.43
▸ HRH1 P35367 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NCF1 P14598 1/20 0.39
▸ CNR2 P34972 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
SCHEMBL20872244 0.92 MEN1 (0.59) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL30716977 0.89 ALDH1A1 (0.58) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL20872243 0.89 ALDH1A1 (0.58) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL13223738 0.87 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL17993963 0.87 MEN1 (0.70) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL17788576 0.86 MEN1 (0.60) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL20872249 0.85 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL13062203 0.84 MEN1 (0.64) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL20855922 0.84 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL30272659 0.84 MEN1 (0.55) MEN1KMT2AALDH1A1KDM4EMAPK1

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-3519386-B1 NOVEL PI-CONJUGATED MATERIALS, METHODS FOR PREPARING SAME AND USES THEREOF AS SEMICONDUCTORS DEGBIA MARTIAL (FR) 2023-03-29 — — EP disclosed
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