SCHEMBL27847164

SCHEMBL27847164

Cn1[c]nc2cc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.46
▸ NR3C1 P04150 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ GRIN1 Q05586 9/20 0.41
▸ GRIN2B Q13224 9/20 0.41
▸ IKBKB O14920 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ ICMT O60725 1/20 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
SCHEMBL3651143 0.84 PKM (0.50) KDM4EHSD17B10
SCHEMBL7810834 0.74 KIF11 (0.42) KDM4E
Bromide SCHEMBL116435 0.73 TLR8 (0.46) TGFBR1NR3C1PGRGRIN1GRIN2B
SCHEMBL3433378 0.71 TGFBR1 (0.51) TGFBR1NR3C1PGRGRIN1GRIN2B
SCHEMBL1263144 0.71 TSHR (0.58) PGRMAOBKDM1A
SCHEMBL29678302 0.71 TSHR (0.58) PGRMAOBKDM1A
SCHEMBL3474070 0.69 TGFBR1 (0.49) TGFBR1NR3C1PGRGRIN1GRIN2B
SCHEMBL7815089 0.69 HTR1D (0.36) PGRHSD17B10
SCHEMBL26827704 0.69 MAOB (0.62) PGRMAOBKDM1A
Ammonia Solution, Strong SCHEMBL20472961 0.69 MAOB (0.56) PGRMAOBKDM1A

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
CN-102414210-A Substituted imidazo [1,2-a ] pyridine derivatives as beta-secretase inhibitors, pharmaceutical compositions, and methods of use HIGH POINT PHARMACEUTICALS LLC 2012-04-11 — — CN disclosed
Send feedback