SCHEMBL7775301

SCHEMBL7775301

Clc1ccc2c(c1)nnn2-c1nc[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 5/20 0.48
CHEK1 O14757 1/20 0.40
LIMK1 P53667 1/20 0.40
MAPK14 Q16539 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
DYRK1A Q13627 1/20 0.35
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
FGFR1 P11362 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.32
CASP3 P42574 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL28980715 0.69 HPGD (0.61) KCNMA1CHEK1LIMK1MAPK14CLK4
SCHEMBL1150909 0.69 CHEK1 (0.50) KCNMA1CHEK1LIMK1MAPK14CLK4
SCHEMBL11264259 0.68 CHEK1 (0.53) KCNMA1CHEK1LIMK1MAPK14CLK4
SCHEMBL6064913 0.66 KCNMA1 (0.67) KCNMA1CHEK1LIMK1MAPK14CLK4
SCHEMBL7645987 0.66 KCNMA1 (0.43) KCNMA1CHEK1LIMK1MAPK14CLK4
SCHEMBL1133392 0.65 RAB9A (0.56) KCNMA1CHEK1LIMK1MAPK14CLK4
SCHEMBL3676899 0.65 PKM (0.56) KCNMA1CHEK1LIMK1MAPK14CLK4
SCHEMBL3278710 0.65 PKM (0.56) KCNMA1CHEK1LIMK1MAPK14CLK4
SCHEMBL29193530 0.65 KCNMA1 (0.42) KCNMA1CHEK1LIMK1MAPK14CLK4
SCHEMBL11053779 0.64 CHEK1 (0.49) KCNMA1CHEK1LIMK1MAPK14CLK4

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
US-20010031430-A1 Photothermographic material KONICA CORPORATION (JP) 2001-10-18 US disclosed
EP-1122593-A2 Photothermographic material KONICA CORPORATION (JP) 2001-08-08 EP disclosed