SCHEMBL19289677

SCHEMBL19289677

Cc1nnc(SCC(=O)Nc2ccccc2Cl)n1Cc1ccco1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 1/20 0.70
S100A10 P60903 1/20 0.70
TSHR P16473 6/20 0.66
POLB P06746 4/20 0.66
HTT P42858 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
ALDH1A1 P00352 6/20 0.62
HPGD P15428 2/20 0.62
PKM P14618 1/20 0.62
HCRTR2 O43614 4/20 0.61
USP2 O75604 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
GAA P10253 3/20 0.60
RECQL P46063 2/20 0.60
APEX1 P27695 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MAPT P10636 4/20 0.59
LMNA P02545 2/20 0.59

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
SCHEMBL19289675 0.87 ANXA2 (0.58) ANXA2S100A10TSHRPOLBHTT
SCHEMBL4208503 0.79 TSHR (0.74) TSHRPOLBHTTNPSR1ALDH1A1
SCHEMBL4206151 0.79 TSHR (0.74) TSHRPOLBHTTNPSR1ALDH1A1
SCHEMBL4208409 0.79 HSD17B10 (0.65) TSHRPOLBHTTNPSR1ALDH1A1
SCHEMBL4211130 0.74 MEN1 (0.78) TSHRHTTNPSR1ALDH1A1USP2
SCHEMBL4213359 0.72 HCRTR2 (0.76) TSHRPOLBHTTNPSR1ALDH1A1
SCHEMBL4211011 0.72 LMNA (0.68) TSHRHTTNPSR1ALDH1A1USP2
SCHEMBL6404093 0.72 TSHR (0.74) TSHRPOLBHTTNPSR1ALDH1A1
SCHEMBL4206962 0.72 HCRTR2 (0.76) ANXA2S100A10TSHRALDH1A1HPGD
SCHEMBL18559232 0.71 USP2 (0.79) TSHRPOLBNPSR1ALDH1A1HPGD

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
EP-3210469-A1 USE OF SUBSTITUTED THIO-1,2,4-TRIAZOLES FOR INCREASING STRESS TOLERANCE IN PLANTS Bayer Cropscience AG (DE) 2017-08-30 EP disclosed