SCHEMBL7770256

SCHEMBL7770256

COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(C#N)n3)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 2/20 0.49
HSP90AA1 P07900 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CCR1 P32246 1/20 0.44
HTT P42858 1/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7847726 0.91 KDM4E (0.50) SQORL3MBTL1SMN1; SMN2KDM4ELMNA
SCHEMBL8600128 0.89 KDM4E (0.51) SQORL3MBTL1SMN1; SMN2KDM4ELMNA
SCHEMBL7454751 0.87 NPC1 (0.57) SQORHSP90AA1NPC1RAB9AL3MBTL1
SCHEMBL31260432 0.87 NPC1 (0.57) SQORHSP90AA1NPC1RAB9AL3MBTL1
SCHEMBL7766604 0.82 NPC1 (0.51) HSP90AA1NPC1RAB9AL3MBTL1PKM
SCHEMBL32685182 0.82 TGFBR1 (0.54) HSP90AA1NPC1RAB9AL3MBTL1PKM
SCHEMBL12655918 0.82 ACACA (0.52) HSP90AA1NPC1RAB9AL3MBTL1PKM
SCHEMBL31187066 0.81 NPC1 (0.51) SQORHSP90AA1NPC1RAB9AL3MBTL1
Caerulomycinonitrile SCHEMBL8515198 0.80 HSP90AA1 (0.54) SQORHSP90AA1NPC1RAB9AL3MBTL1
SCHEMBL7770357 0.80 ABL1 (0.44) HSP90AA1NPC1RAB9AL3MBTL1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248870-B1 OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. NYCOMED IMAGING AS (NO) 2001-06-19 US disclosed
US-5817774-A Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods STERLING WINTHROP INCORPORATION (US) 1998-10-06 US disclosed
US-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US disclosed