SCHEMBL13086306

SCHEMBL13086306

COCCCNc1ccc(C2=NC(Cc3ccccc3C)C(=O)N(Cc3ccc(OC)cc3)c3ccc(I)cc32)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.33
SYK P43405 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
NPBWR1 P48145 1/20 0.31

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
SCHEMBL13086575 1.00 BRD4 (0.35) BRD4TP53MAPTSYKSMN1; SMN2
SCHEMBL2602011 0.87 BRD4 (0.39) BRD4HDAC1
SCHEMBL2602010 0.87 BRD4 (0.39) BRD4HDAC1
SCHEMBL2119736 0.82 BRD4 (0.38) BRD4TP53
SCHEMBL2117832 0.82 BRD4 (0.38) BRD4TP53
SCHEMBL607123 0.74 BRD4 (0.47) BRD4TP53SMN1; SMN2HDAC1
SCHEMBL2119892 0.73 BRD4 (0.43) BRD4HDAC1HDAC3HDAC8HDAC6
SCHEMBL13086307 0.73 CCKBR (0.39)
SCHEMBL13086285 0.73 CCKBR (0.39)
SCHEMBL2602023 0.73 BRD4 (0.40) BRD4TP53HDAC1

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-2010121164-A2 1,4-BENZODIAZEPINONE COMPOUNDS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-10-21 WO disclosed