SCHEMBL7687854

SCHEMBL7687854

CC(C)(N)c1ccccc1-c1ccc2c(c1)CN[C@H](Cc1ccccc1)CN2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TRPA1 O75762 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL6614572 0.81 MEN1 (0.68) MEN1KMT2APOLB
SCHEMBL6617044 0.81 MEN1 (0.68) MEN1KMT2APOLB
SCHEMBL6618481 0.81 MEN1 (0.55) MEN1KMT2A
SCHEMBL7687860 0.81 MEN1 (0.55) MEN1KMT2A
SCHEMBL6633812 0.78 MEN1 (0.62) MEN1KMT2APOLB
SCHEMBL7679292 0.78 MEN1 (0.62) MEN1KMT2APOLB
SCHEMBL6614678 0.75 MEN1 (0.58) MEN1KMT2A
SCHEMBL6618053 0.74 MEN1 (0.68) MEN1KMT2APOLB
SCHEMBL6633687 0.74 MEN1 (0.68) MEN1KMT2APOLB
SCHEMBL6616133 0.74 MEN1 (0.68) MEN1KMT2APOLB

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
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed