SCHEMBL11884015

SCHEMBL11884015

O=S=Nc1ccc(C(=O)Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ HTR3E A5X5Y0 2/20 0.36
▸ HTR3B O95264 2/20 0.36
▸ HTR3A P46098 2/20 0.36
▸ HTR3D Q70Z44 2/20 0.36
▸ HTR3C Q8WXA8 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ITGB3 P05106 1/20 0.33
▸ ITGAV P06756 1/20 0.33
▸ PIK3CA P42336 1/20 0.32

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
SCHEMBL3020159 0.85 ALDH1A1 (0.37) TSHRSMN1; SMN2MAPTKDM4EMAPK1
SCHEMBL10478148 0.82 MEN1 (0.43) TSHRCASP1SMN1; SMN2MAPTKDM4E
SCHEMBL28234558 0.75 MEN1 (0.55) SMN1; SMN2MAPTKDM4EMAPK1TDP1
SCHEMBL1164647 0.72 TSHR (0.42) TSHRCASP1SMN1; SMN2MAPTKDM4E
SCHEMBL5732135 0.71 SMN1; SMN2 (0.68) TSHRCASP1SMN1; SMN2MAPTKDM4E
SCHEMBL107060 0.71 SMN1; SMN2 (0.68) TSHRCASP1SMN1; SMN2MAPTKDM4E
SCHEMBL3019453 0.70 ALDH1A1 (0.43) TSHRSMN1; SMN2MAPTTDP1ALDH1A1
SCHEMBL5183277 0.70 ALDH1A1 (0.42) TSHRSMN1; SMN2MAPTMAPK1TDP1
SCHEMBL13069724 0.70 HSD17B10 (0.52) TSHRCASP1SMN1; SMN2MAPTKDM4E
SCHEMBL101687 0.70 TSHR (0.45) TSHRCASP1SMN1; SMN2MAPTKDM4E

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-3943110-A Fiber and film-forming nuclearly-halogenated poly(1,4-benzamides) E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-03-09 — — US disclosed
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