SCHEMBL5236935

SCHEMBL5236935

CCCCCOn1ccc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.41
CCND1 P24385 4/20 0.41
SLC6A2 P23975 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
LTA4H P09960 1/20 0.38
TLR8 Q9NR97 3/20 0.37
ALDH1A1 P00352 2/20 0.37
APAF1 O14727 1/20 0.37
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPK1 P28482 1/20 0.37
DRD2 P14416 1/20 0.36
SLC6A4 P31645 1/20 0.36
LMNA P02545 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
NOTUM Q6P988 1/20 0.35

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
SCHEMBL30233822 0.88 CDK4 (0.42) CDK4CCND1SLC6A2DRD2SLC6A4
SCHEMBL30704384 0.83 CDK4 (0.41) CDK4CCND1TSHRLMNAHTR2A
SCHEMBL30233726 0.82 CDK4 (0.47) CDK4CCND1SLC6A2ALDH1A1TSHR
SCHEMBL3576716 0.82 CDK4 (0.47) CDK4CCND1SLC6A2ALDH1A1TSHR
SCHEMBL14837866 0.81 CDK4 (0.37) CDK4CCND1SLC6A2TDP1ALDH1A1
SCHEMBL5557186 0.81 HTR1B (0.45) CDK4CCND1SLC6A4LMNAHTR2A
SCHEMBL30388872 0.79 CDK4 (0.43) CDK4CCND1ALDH1A1TP53MAPK1
SCHEMBL7743545 0.78 CDK4 (0.37) CDK4CCND1SLC6A2CYP3A4MAPK1
SCHEMBL7987460 0.77 CDK4 (0.42) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL31276881 0.77 CDK4 (0.39) CDK4CCND1SLC6A2ALDH1A1CYP3A4

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-1829872-B1 PROCESSES FOR PRODUCTION OF INDOLE COMPOUNDS NISSAN CHEMICAL IND LTD (JP) 2015-07-29 EP disclosed
EP-1829872-A1 PROCESSES FOR PRODUCTION OF INDOLE COMPOUNDS Nissan Chemical Industries, Ltd. (JP) 2007-09-05 EP disclosed