SCHEMBL6617044

SCHEMBL6617044

c1ccc(CC2CNc3ccc(-c4ccccc4)cc3CN2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
POLB P06746 1/20 0.37
TYRO3 Q06418 1/20 0.35
NTRK2 Q16620 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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 1.00 MEN1 (0.68) MEN1KMT2AKDM4ENPC1GAA
SCHEMBL7679292 0.92 MEN1 (0.62) MEN1KMT2APOLBCLK4DYRK1B
SCHEMBL6633812 0.92 MEN1 (0.62) MEN1KMT2APOLBCLK4DYRK1B
SCHEMBL6614678 0.89 MEN1 (0.58) MEN1KMT2A
SCHEMBL6617718 0.89 MEN1 (0.55) MEN1KMT2A
SCHEMBL6633687 0.84 MEN1 (0.68) MEN1KMT2APOLB
SCHEMBL6618053 0.84 MEN1 (0.68) MEN1KMT2APOLB
SCHEMBL6616133 0.84 MEN1 (0.68) MEN1KMT2APOLB
SCHEMBL6615945 0.84 MEN1 (0.68) MEN1KMT2APOLB
SCHEMBL6616489 0.83 MEN1 (0.97) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed