SCHEMBL20872244

SCHEMBL20872244

CCOCCOCCCn1c2ccccc2c2cc(N)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ KDM4E B2RXH2 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ HPGD P15428 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HTT P42858 1/20 0.59
▸ HBB P68871 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ SIGMAR1 Q99720 1/20 0.53
▸ CNR2 P34972 6/20 0.42
▸ GAA P10253 1/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ PTGER4 P35408 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41

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
SCHEMBL25132549 0.92 MEN1 (0.62) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL10945941 0.82 ALDH1A1 (0.71) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL31739343 0.82 ALDH1A1 (0.71) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL20872243 0.82 ALDH1A1 (0.58) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL30716977 0.82 ALDH1A1 (0.58) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL3400346 0.81 TDP1 (0.42) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL1149765 0.81 KDM4E (0.69) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL8124194 0.80 KDM4E (0.68) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL9397292 0.80 KDM4E (0.68) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL5012113 0.80 KDM4E (0.68) MEN1KMT2AKDM4EMAPTALDH1A1

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
WO-2019063886-A1 NOVEL π-CONJUGATED MATERIALS, METHODS FOR PREPARING SAME AND USES THEREOF AS SEMICONDUCTORS DEGBIA MARTIAL (FR) 2019-04-04 — — WO disclosed
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