SCHEMBL11265480

SCHEMBL11265480

COc1ccc(C(=O)CBr)cc1S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
PKM P14618 2/20 0.50
GSK3B P49841 2/20 0.50
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.43
HPGDS O60760 1/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
PAX8 Q06710 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL11355585 0.87 PKM (0.68) PKMGSK3BPOLBNPSR1MAPT
SCHEMBL997219 0.85 SMN1; SMN2 (0.53) SMN1; SMN2PKMPOLBNPSR1THRA
SCHEMBL11264181 0.81 SMN1; SMN2 (0.59) SMN1; SMN2PKMNPSR1MAPTTSHR
SCHEMBL2565798 0.81 PKM (0.73) SMN1; SMN2PKMPOLBNPSR1MAPT
SCHEMBL29620831 0.80 TSHR (0.63) SMN1; SMN2GSK3BPOLBMAPTTSHR
SCHEMBL426444 0.80 TSHR (0.63) SMN1; SMN2GSK3BPOLBMAPTTSHR
SCHEMBL11669999 0.80 NPC1 (0.52) SMN1; SMN2THRATHRBPTPN1
SCHEMBL8729586 0.80 SMN1; SMN2 (0.57) SMN1; SMN2PKMNPSR1MAPTTSHR
SCHEMBL20647826 0.80 SMN1; SMN2 (0.57) SMN1; SMN2PKMPOLBNPSR1MAPT
SCHEMBL31401229 0.80 PKM (0.58) SMN1; SMN2PKMNPSR1MAPTTSHR

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
US-4327224-A ADRENERGIC BLOCKING AGENTS STERLING DRUG INC. (US) 1982-04-27 US disclosed
US-4124722-A USING AN A-((ALKYLAMINO)ALKYL)-4-HYDROXY-3-(ALKYL-THIO, -SULFINYL -SULFONYL)-BENZENEMETHANOL STERLING DRUG INC. (US) 1978-11-07 US disclosed