Sugi Predict

Sugi Predict / Compounds / SCHEMBL21636112

SCHEMBL21636112

SCHEMBL21636112

O=c1c2ccccc2c2cc(-c3ccc4c5cc(-c6cccc(-n7c(=O)c8ccccc8c8cc(-c9ccc%10c%11ccccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12c(=O)n%13-c%12ccccc%12)cc%11c%10c9)ccc87)c6)ccc5c5ccccc5c4c3)ccc2n1-c1ccc(-c2ccc3c4ccc(-c5ccc6c7ccc(-c8ccc9c(c8)c8cccc(-c%10ccccc%10)c8c(=O)n9-c8ccccc8)cc7c7ccccc7c6c5)cc4c4ccccc4c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BRCA1 P38398 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESRRA P11474 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ FAAH O00519 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL26045612 0.93 KMT2A (0.43) MAPK1KMT2APDE10AALDH1A1MEN1
SCHEMBL21636031 0.92 PDE10A (0.38) MAPK1KMT2APDE10AALDH1A1MEN1
SCHEMBL21636079 0.92 MAPK1 (0.46) MAPK1KMT2APDE10AALDH1A1MEN1
SCHEMBL14933459 0.91 KMT2A (0.42) MAPK1KMT2APDE10AALDH1A1MEN1
SCHEMBL21636121 0.88 MAPK1 (0.47) MAPK1KMT2AALDH1A1MEN1POLB
SCHEMBL14933460 0.88 KMT2A (0.41) MAPK1KMT2APDE10AALDH1A1MEN1
SCHEMBL26042851 0.88 MAPK1 (0.49) MAPK1KMT2APDE10AALDH1A1MEN1
SCHEMBL21636059 0.88 MAPK1 (0.49) MAPK1KMT2APDE10AALDH1A1MEN1
SCHEMBL21636052 0.87 MAPK1 (0.49) MAPK1KMT2APDE10AALDH1A1MEN1
SCHEMBL21636097 0.86 MAPK1 (0.47) MAPK1KMT2APDE10AALDH1A1MEN1

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-2020016264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-23 — — WO disclosed