SCHEMBL30737668

SCHEMBL30737668

Clc1ccc2oc3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 4/20 0.47
ADORA3 P0DMS8 2/20 0.45
TNKS O95271 1/20 0.45
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRG2 P18507 3/20 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
SCHEMBL19802125 1.00 AHR (0.47) AHRADORA3TNKSNPC1MAPK1
SCHEMBL19802143 0.97 AHR (0.44) AHRADORA3TNKSNPC1MAPK1
SCHEMBL29918656 0.97 AHR (0.44) AHRADORA3TNKSNPC1MAPK1
SCHEMBL19802873 0.96 AHR (0.43) AHRADORA3TNKSNPC1MAPK1
SCHEMBL21573691 0.95 AHR (0.43) AHRADORA3TNKSNPC1MAPK1
SCHEMBL24991465 0.93 AHR (0.41) AHRADORA3TNKSNPC1MAPK1
SCHEMBL23058684 0.93 AHR (0.50) AHRADORA3TNKSNPC1MAPK1
SCHEMBL22178267 0.93 AHR (0.43) AHRADORA3TNKSNPC1MAPK1
SCHEMBL23822576 0.93 AHR (0.41) AHRADORA3TNKSNPC1MAPK1
SCHEMBL24889820 0.92 KDM4E (0.40) AHRADORA3TNKSNPC1MAPK1

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-4544889-A1 COMPOSITION FOR ORGANIC ELECTRONIC DEVICES Merck Patent GmbH (DE) 2025-04-30 EP disclosed
WO-2023247663-A1 COMPOSITION FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-12-28 WO disclosed