SCHEMBL9018900

SCHEMBL9018900

COc1c(SCl)cccc1SCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
POLB P06746 1/20 0.32
CA4 P22748 2/20 0.32
CA12 O43570 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HTR1A P08908 1/20 0.31
HTR3A P46098 1/20 0.31
DHFR P00374 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL3781779 0.85 ALDH1A1 (0.39) SMN1; SMN2KDM4EALDH1A1MAPK1POLB
SCHEMBL8487860 0.84 KDM4E (0.30) SMN1; SMN2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL4460479 0.77 SMN1; SMN2 (0.43) SMN1; SMN2KDM4EALDH1A1MAPK1POLB
SCHEMBL1712860 0.73 CA1 (0.55) ALDH1A1MAPK1CA1CA2POLB
SCHEMBL11662486 0.73 CA1 (0.42) SMN1; SMN2KDM4EALDH1A1MAPK1CA1
SCHEMBL3786988 0.72 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1MAPK1CA1
SCHEMBL1970573 0.68 APOBEC3G (0.38) SMN1; SMN2POLBLMNAMAPTHPGD
SCHEMBL24314191 0.68 L3MBTL1 (0.39) SMN1; SMN2KDM4EALDH1A1POLBLMNA
SCHEMBL8388547 0.67 KDM4E (0.36) SMN1; SMN2KDM4EALDH1A1MAPK1MAPT
SCHEMBL5378587 0.67

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-0742201-A1 PROCESS FOR PRODUCING AROMATIC OR HETEROAROMATIC SULFUR COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1996-11-13 EP disclosed