SCHEMBL22418756

SCHEMBL22418756

c1ccc(-c2cccc(-c3ccc4nc[nH]c4c3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 14/20 0.64
QPCTL Q9NXS2 6/20 0.64
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.51
PRKCI P41743 1/20 0.50
MAPT P10636 1/20 0.49
RAD52 P43351 1/20 0.49
PIK3CD O00329 1/20 0.48

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
SCHEMBL28190281 0.96 QPCT (0.64) QPCTQPCTLKDM4EALDH1A1HPGD
SCHEMBL2462345 0.96 QPCT (0.68) QPCTQPCTLKDM4EALDH1A1HPGD
SCHEMBL8634290 0.87 QPCT (0.68) QPCTQPCTLKDM4EALDH1A1HPGD
SCHEMBL22418755 0.86 QPCT (0.47) QPCTQPCTLKDM4EALDH1A1HPGD
Benzimidazole SCHEMBL19091629 0.86 QPCT (0.47) QPCTQPCTLKDM4EALDH1A1HPGD
Benzimidazole SCHEMBL19091630 0.86 QPCT (0.47) QPCTQPCTLKDM4EALDH1A1HPGD
SCHEMBL14669311 0.83 QPCT (0.57) QPCTQPCTLKDM4EALDH1A1HPGD
SCHEMBL23227763 0.83 QPCT (0.60) QPCTQPCTLKDM4EALDH1A1HPGD
SCHEMBL29804755 0.83 QPCT (0.60) QPCTQPCTLKDM4EALDH1A1HPGD
SCHEMBL23227938 0.83 QPCT (0.60) QPCTQPCTLKDM4EALDH1A1HPGD

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-3938367-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2022-01-19 EP disclosed
EP-3888147-A1 COMPOUNDS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2021-10-06 EP disclosed
CN-113169274-A Compounds for electronic devices 默克专利有限公司 2021-07-23 CN disclosed
WO-2020182779-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-09-17 WO disclosed