SCHEMBL11040029

SCHEMBL11040029

SC(S)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
HIF1A Q16665 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP2A6 P11509 1/20 0.50
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
ADRB2 P07550 1/20 0.48
IDO1 P14902 5/20 0.45
CYP19A1 P11511 5/20 0.44
TDO2 P48775 3/20 0.44
BRD4 O60885 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CHRNA7 P36544 1/20 0.38
CYP2D6 P10635 1/20 0.37

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
SCHEMBL10410189 0.83
SCHEMBL6074846 0.81 IDO1 (0.50) TSHRHIF1ALMNAMAPK1TDP1
SCHEMBL11660398 0.79 TSHR (0.55) TSHRHIF1ALMNAMAPK1TDP1
SCHEMBL25015977 0.77 TSHR (0.52) TSHRHIF1ALMNAMAPK1TDP1
SCHEMBL19576827 0.77 ADRB2 (0.56) TSHRHIF1ALMNAMAPK1TDP1
SCHEMBL1145586 0.77 ADRB2 (0.56) TSHRHIF1ALMNAMAPK1TDP1
SCHEMBL4088048 0.73 CYP19A1 (0.70) TSHRHIF1ALMNAMAPK1TDP1
SCHEMBL29064053 0.73 IDO1 (0.59) TSHRHIF1ALMNAMAPK1TDP1
Hydrochloric Acid SCHEMBL7782034 0.71 CYP19A1 (0.67) TSHRHIF1ALMNAMAPK1TDP1
SCHEMBL197810 0.71 ADRB2 (0.65) TSHRHIF1ALMNAMAPK1TDP1

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-0048354-B1 A MARKING OR LABELING AGENT PENNWALT CORPORATION (US) 1985-01-02 EP claimed