SCHEMBL11683028

SCHEMBL11683028

Clc1ccc(-c2n[nH]c3cc4ccccc4cc23)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.71
MAPK14 Q16539 2/20 0.48
MAPK13 O15264 1/20 0.48
RAF1 P04049 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NOTUM Q6P988 2/20 0.46
NPY5R Q15761 2/20 0.45
CDK2 P24941 2/20 0.43
CDK4 P11802 1/20 0.43
CCNA2 P20248 1/20 0.43
CCND1 P24385 1/20 0.43
CCND3 P30281 1/20 0.43
KDR P35968 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42

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
SCHEMBL11685205 0.83 MAP2K4 (0.50) IDO1MAPK14MAPK13RAF1MAPK12
SCHEMBL31677101 0.79 ALDH1A1 (0.62) IDO1MAPK14ALDH1A1MAPTHPGD
SCHEMBL11682988 0.79 ALDH1A1 (0.62) IDO1MAPK14ALDH1A1MAPTHPGD
SCHEMBL11683287 0.77 CDK2 (0.63) IDO1MAPK14MAPK13MAPK12MAPK11
SCHEMBL11686488 0.77 MAP2K4 (0.63) IDO1MAPK14ALDH1A1HPGDCDK2
SCHEMBL11685176 0.77 MAP2K4 (0.55) IDO1ALDH1A1HPGDCDK2CDK4
SCHEMBL17829918 0.76 IDO1 (0.65) IDO1ALDH1A1MAPTHPGDHTT
SCHEMBL11682161 0.76 MKNK1 (0.63) IDO1ALDH1A1HPGDCDK2CDK4
SCHEMBL11687075 0.74 KMT2A (0.54) MAPK14MAPK13RAF1MAPK12MAPK11
SCHEMBL11683985 0.74 PDE4A (0.62) MAPK14ALDH1A1HPGDCDK2CDK4

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