SCHEMBL7850867

SCHEMBL7850867

COc1ccc(-c2cc(-c3cccc(Br)n3)nc(-c3cccc(Br)n3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.47
ABCB1 P08183 1/20 0.47
BCR P11274 1/20 0.47
MCL1 Q07820 2/20 0.47
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAPK1 P28482 2/20 0.42
CASP3 P42574 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
TP53 P04637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL7766604 0.91 NPC1 (0.51) NPC1RAB9AADORA3MAPK1SMN1; SMN2
SCHEMBL9398061 0.87 MCL1 (0.39) ABL1ABCB1BCRMCL1NPC1
SCHEMBL30584739 0.85 NPC1 (0.53) NPC1RAB9AADORA3MAPK1CASP3
SCHEMBL17144746 0.85 NPC1 (0.53) NPC1RAB9AADORA3MAPK1CASP3
SCHEMBL7847726 0.79 KDM4E (0.50) ABL1ABCB1BCRMCL1MAPK1
SCHEMBL23598651 0.79 MEN1 (0.50) MCL1RAB9AADORA3SMN1; SMN2ALDH1A1
SCHEMBL8600130 0.78 TERT (0.47) ABL1ABCB1BCRMCL1NPC1
SCHEMBL8596986 0.78 ABL1 (0.44) ABL1ABCB1BCRMCL1NPC1
SCHEMBL7847605 0.78 ABL1 (0.44) ABL1ABCB1BCRMCL1NPC1
SCHEMBL7859483 0.77 ADORA3 (0.61) ABL1ABCB1BCRMCL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639083-B1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 2001-07-18 EP disclosed
US-5760191-A Macrocyclic complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods NYCOMED IMAGING AS (NO) 1998-06-02 US disclosed
EP-0624097-B1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1998-03-18 EP disclosed
US-5707603-A Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions NYCOMED IMAGING AS (NO) 1998-01-13 US disclosed
US-5677445-A DIAGNOSIS, THERAPY NYCOMED IMAGING AS (NO) 1997-10-14 US disclosed
US-5539117-A 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines GE HEALTHCARE AS (NO) 1996-07-23 US disclosed
US-5523402-A COMPLEXING AGENTS FOR TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1996-06-04 US disclosed
EP-0639083-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1995-02-22 EP disclosed
EP-0624097-A1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1994-11-17 EP disclosed
US-5350696-A 2-acetyl-6-cyanopyridines and their use as intermediates in the synthesis of oligo-2,6-pyridines STERLING WINTHROP, INC. (US) 1994-09-27 US disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO disclosed
WO-1992008494-A2 TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1992-05-29 WO disclosed