SCHEMBL8666970

SCHEMBL8666970

Fc1cc(F)c(C2(C3(c4c(F)cc(F)cc4F)N=C(c4ccccc4)C(c4ccccc4)=N3)N=C(c3ccccc3)C(c3ccccc3)=N2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
METAP2 P50579 1/20 0.33
ALDH1A1 P00352 2/20 0.33
BACE1 P56817 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP19A1 P11511 1/20 0.32
CCNE2 O96020 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
APP P05067 1/20 0.31
MAP2K4 P45985 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL3394827 0.86 ALDH1A1 (0.35) ALDH1A1BACE1NPC1RAB9AMEN1
SCHEMBL6935491 0.79 DYRK1A (0.44) ADORA2AADORA1BACE1MAOB
SCHEMBL29508349 0.79 DYRK1A (0.44) ADORA2AADORA1BACE1MAOB
SCHEMBL8665749 0.79 BACE1 (0.39) ADORA2AADORA1BACE1NPC1RAB9A
SCHEMBL491016 0.76 BACE1 (0.41) ADORA2AADORA1BACE1MAOAMAOB
SCHEMBL490744 0.73 NPY5R (0.44) ADORA2AADORA1ALDH1A1NPC1CYP19A1
SCHEMBL30987503 0.73 ALDH1A1 (0.34) ALDH1A1BACE1NPC1RAB9AMEN1
SCHEMBL155813 0.73 ALDH1A1 (0.34) ALDH1A1BACE1NPC1RAB9AMEN1
SCHEMBL2534150 0.72 NPC1 (0.41) ALDH1A1NPC1RAB9ACDK2MEN1
SCHEMBL2498529 0.72 PTPN1 (0.37) ALDH1A1BACE1NPC1RAB9AMAOA

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-5792589-A ORGANIC BINDER; OPTICALLY CROSSLINKABLE COMPOUND; RADICAL-GENERATING AGENT: 2,4,5-TRIARYL IMIDAZOLE DIMER, AMINO-GROUP CONTAINING BENZOPHENONE PHOTOSENSITIZER, A THIOL COMPOUND JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1998-08-11 US disclosed