SCHEMBL15085102

SCHEMBL15085102

c1ccc(-c2cn(-c3ccccc3)c3c(-c4ccccc4)cccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.44
▸ ESR1 P03372 2/20 0.41
▸ ESRRA P11474 2/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ SRC P12931 4/20 0.40
▸ EGFR P00533 2/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ ABL2 P42684 1/20 0.40
▸ HTR6 P50406 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL15085096 0.87 DYRK1A (0.51) DYRK1AKDM4EPOLBRAB9ANPC1
SCHEMBL13335110 0.80 SRC (0.38) DYRK1ABRD4SRCEGFRABL1
SCHEMBL15085105 0.79 L3MBTL1 (0.44) DYRK1AESR1ESRRAESR2SRC
SCHEMBL15085098 0.77 KDM4E (0.42) DYRK1AESR1ESRRAESR2SRC
SCHEMBL1883807 0.77 KDM4E (0.58) DYRK1AESR1ESRRAESR2BRD4
SCHEMBL15632054 0.76 HTR2B (0.43) DYRK1AESR1ESRRAESR2SRC
SCHEMBL17016031 0.75 KDM4E (0.44) DYRK1AESR1ESRRAESR2HTR6
SCHEMBL15085082 0.75 DYRK1A (0.49) DYRK1AESR1ESRRAESR2SRC
SCHEMBL21666163 0.75 KDM4E (0.45) KDRKDM4ERAB9ANPC1
SCHEMBL15085097 0.74 SIGMAR1 (0.35) DYRK1AESR1ESRRAESR2BRD4

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-2013100506-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 — — WO disclosed
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