SCHEMBL19009650

SCHEMBL19009650

c1ccc(-c2ccc(-c3nc(-c4cccc(-c5nc(-c6ccccc6)c6ccccc6n5)c4)nc4c3sc3ccccc34)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ WHR1 P49842 1/20 0.40
▸ ADORA2A P29274 4/20 0.38
▸ NUDT1 P36639 3/20 0.38
▸ NR1I3 Q14994 4/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2B6 P20813 2/20 0.36
▸ AHR P35869 2/20 0.36
▸ VDR P11473 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ LIMK1 P53667 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 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
SCHEMBL18158381 0.97 MEN1 (0.48) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL18158385 0.96 MEN1 (0.47) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL18158384 0.96 MEN1 (0.47) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL18158377 0.96 MEN1 (0.47) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL19106233 0.95 MEN1 (0.50) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL19106248 0.94 MEN1 (0.51) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL19106240 0.94 MEN1 (0.56) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL19106287 0.94 MEN1 (0.56) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL19106269 0.94 MEN1 (0.56) MEN1KMT2AATMWHR1ADORA2A
SCHEMBL18017912 0.94 TNKS (0.40) MEN1KMT2AATMWHR1TNKS

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
US-20170179402-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 — — US disclosed
US-20170179402-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-22 — — US disclosed
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