SCHEMBL20872243

SCHEMBL20872243

COCCOCCOCCn1c2ccccc2c2cc(N)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ KDM4E B2RXH2 3/20 0.58
▸ HPGD P15428 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HBB P68871 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ PTGER4 P35408 7/20 0.55
▸ APP P05067 3/20 0.53
▸ SIGMAR1 Q99720 1/20 0.52
▸ CNR2 P34972 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL30716977 1.00 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL1149877 0.92 MEN1 (0.65) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL25132549 0.89 MEN1 (0.62) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL2143204 0.87 MEN1 (0.62) ALDH1A1MEN1KMT2AKDM4EPTGER4
SCHEMBL30716978 0.87 MEN1 (0.70) ALDH1A1MEN1KMT2AKDM4EPTGER4
SCHEMBL30294930 0.87 MEN1 (0.70) ALDH1A1MEN1KMT2AKDM4EPTGER4
SCHEMBL14578721 0.87 MEN1 (0.70) ALDH1A1MEN1KMT2AKDM4EPTGER4
SCHEMBL13387568 0.87 MEN1 (0.70) ALDH1A1MEN1KMT2AKDM4EPTGER4
SCHEMBL25132551 0.85 PTGER4 (0.56) ALDH1A1MEN1KMT2AKDM4EPTGER4
SCHEMBL21219199 0.84 PTGER4 (0.55) ALDH1A1MEN1KMT2AKDM4EMAPT

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 2 patents. 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
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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