SCHEMBL11685205

SCHEMBL11685205

Clc1ccc(-c2n[nH]c3cc4ccccc4cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 4/20 0.50
IDO1 P14902 3/20 0.49
MKNK1 Q9BUB5 1/20 0.47
DCLK1 O15075 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
CSF1R P07333 1/20 0.46
FER P16591 1/20 0.46
CDK2 P24941 1/20 0.46
MARK3 P27448 1/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46
MAPK9 P45984 1/20 0.46
CSNK1D P48730 1/20 0.46
CLK2 P49760 1/20 0.46
CSNK2A1 P68400 1/20 0.46
CSNK1G2 P78368 1/20 0.46
MAP4K2 Q12851 1/20 0.46
STK3 Q13188 1/20 0.46

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
SCHEMBL31677101 0.85 ALDH1A1 (0.62) MAP2K4IDO1MKNK1DCLK1PRKD3
SCHEMBL11682988 0.85 ALDH1A1 (0.62) MAP2K4IDO1MKNK1DCLK1PRKD3
SCHEMBL11683028 0.83 IDO1 (0.71) MAP2K4IDO1MKNK1DCLK1PRKD3
SCHEMBL11683702 0.83 CDK2 (0.51) MAP2K4IDO1DCLK1PRKD3MAP4K4
SCHEMBL11683287 0.83 CDK2 (0.63) MAP2K4IDO1MKNK1DCLK1PRKD3
SCHEMBL11685176 0.83 MAP2K4 (0.55) MAP2K4IDO1MKNK1DCLK1PRKD3
SCHEMBL11686488 0.83 MAP2K4 (0.63) MAP2K4IDO1MKNK1DCLK1PRKD3
SCHEMBL11682161 0.82 MKNK1 (0.63) MAP2K4IDO1MKNK1DCLK1PRKD3
SCHEMBL5381079 0.80 IDO1 (0.71) MAP2K4IDO1MKNK1DCLK1PRKD3
SCHEMBL11687075 0.80 KMT2A (0.54) CDK2DYRK1AKDM4EALDH1A1TTK

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-4042704-A FERTILITY CONTROL AGENTS SANDOZ, INC. (US) 1977-08-16 US claimed
US-4042704-A FERTILITY CONTROL AGENTS SANDOZ, INC. (US) 1977-08-16 US disclosed