SCHEMBL21565637

SCHEMBL21565637

CCCCCCc1ccc(C2(c3ccc(C)cc3)c3cc4c(cc3-c3sc5cc(/C=C6\C(=O)c7ccccc7C6=C(C#N)C#N)sc5c32)C(c2ccc(CCCCCC)cc2)(c2ccc(CCCCCC)cc2)c2c-4sc3cc(/C=C4\C(=O)c5ccccc5C4=C(C#N)C#N)sc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL31356943 0.97 KDM4E (0.31) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL29883853 0.97 KDM4E (0.31) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL19570569 0.97 KDM4E (0.31) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL29362275 0.97 KDM4E (0.31) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20043834 0.97
SCHEMBL21949304 0.94 KDM4E (0.31) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL31040924 0.94
SCHEMBL29924107 0.94
SCHEMBL21851340 0.92
SCHEMBL26326334 0.92

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
WO-2021136435-A1 CONJUGATED POLYMER DONOR MATERIAL, AND PREPARATION METHOD THEREFOR AND USE THEREOF 国家纳米科学中心 2021-07-08 WO disclosed
WO-2019215448-A1 POLYTHIOPHENE ELECTRON DONORS IN ORGANIC DEVICES IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (GB) 2019-11-14 WO disclosed