SCHEMBL7017322

SCHEMBL7017322

CC(=O)N(c1c(-c2ccco2)nc2ccc(C(F)(F)F)cn12)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 3/20 0.42
ALOX15 P16050 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
BLM P54132 1/20 0.42
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 5/20 0.37
TRIM33 Q9UPN9 1/20 0.35
ADORA2A P29274 3/20 0.35
ADORA2B P29275 3/20 0.35
ADORA1 P30542 3/20 0.35
ADORA3 P0DMS8 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
EIF2AK4 Q9P2K8 2/20 0.34
POLB P06746 2/20 0.34

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
SCHEMBL5164712 0.79 MAPT (0.44) MAPTHPGDHSD17B10ALOX15MEN1
SCHEMBL5168319 0.76 MAPT (0.40) MAPTHPGDHSD17B10ALOX15MEN1
SCHEMBL7010442 0.76 MAPT (0.38) MAPTHPGDHSD17B10ALOX15MEN1
SCHEMBL6279815 0.75 PKM (0.49) HPGDALDH1A1KDM4EPOLBGAA
SCHEMBL6645111 0.69 MAPT (0.46) MAPTHPGDHSD17B10ALDH1A1KDM4E
SCHEMBL5165825 0.66 RAB9A (0.38) HPGDHSD17B10MEN1KMT2AALDH1A1
SCHEMBL5165861 0.65 ATM (0.41) MAPTALDH1A1KDM4ENPSR1GAA
SCHEMBL5166401 0.63 KLK7 (0.40) MAPTHPGDHSD17B10ALDH1A1KDM4E
SCHEMBL5165831 0.63 KDM4E (0.47) MAPTHPGDHSD17B10ALDH1A1KDM4E
SCHEMBL5165780 0.63 PKM (0.38) MAPTALDH1A1KDM4EADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP claimed
EP-1218380-B1 BICYCLIC IMIDAZO-3-YL-AMINE DERIVATIVES WHICH ARE SUBSTITUTED ON THE SIXTH RING GRUENENTHAL GMBH (DE) 2003-12-17 EP disclosed