SCHEMBL6625069

SCHEMBL6625069

c1ccc(-c2ccc3c(c2)CNCCN3)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
MEN1 O00255 2/20 0.62
NPC1 O15118 2/20 0.62
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
GAA P10253 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP10 Q53GL7 1/20 0.44
PARP11 Q9NR21 1/20 0.44
TYRO3 Q06418 1/20 0.42
NTRK2 Q16620 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
ASIC3 Q9UHC3 4/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39

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
SCHEMBL1436033 0.80 KDM4E (0.63) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL28951004 0.77 KDM4E (0.59) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL6887634 0.75 CD44 (0.52) MEN1KMT2AGAAMAOBPNMT
SCHEMBL379799 0.75 CD44 (0.52) MEN1KMT2AGAAMAOBPNMT
SCHEMBL4663734 0.75 PNMT (0.59) PARP10PARP11ASIC3MAOBPNMT
SCHEMBL6347388 0.75 ASIC3 (0.65) PARP10PARP11ASIC3CYP3A4MAOB
SCHEMBL30593253 0.75 PNMT (0.59) PARP10PARP11ASIC3MAOBPNMT
Hydrochloric Acid SCHEMBL7002945 0.74 CD44 (0.50) MEN1KMT2AGAAALDH1A1MAOB
SCHEMBL29543554 0.74 TYRO3 (0.50) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL8676339 0.74 TYRO3 (0.50) KDM4EMEN1NPC1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027042-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-08-18 EP disclosed
US-6458783-B1 INHIBITION OF FARNESYL TRANSFERASE, WHICH IS AN ENZYME INVOLVED IN RAS ONCOGENE EXPRESSION, IS EFFECTED BY COMPOUNDS OF THE FORMULAS OF BENODIAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2002-10-01 US disclosed
WO-2001081322-A1 NON-IMIDAZOLE BENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 WO disclosed
EP-1027042-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-16 EP disclosed
WO-1999018951-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-22 WO disclosed