SCHEMBL6460066

SCHEMBL6460066

O=S(=O)(/C(F)=C(/F)CF)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ TP53 P04637 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HTR6 P50406 1/20 0.39
▸ PSIP1 O75475 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ S1PR2 O95136 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PRNP P04156 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38

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
SCHEMBL6468312 1.00 SMN1; SMN2 (0.41) SMN1; SMN2TSHRALDH1A1TP53HTT
SCHEMBL777950 0.79 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1TP53HTT
SCHEMBL9397393 0.76 SMN1; SMN2 (0.50) SMN1; SMN2TSHRALDH1A1TP53HTT
SCHEMBL5132709 0.73 SMN1; SMN2 (0.52) SMN1; SMN2TSHRALDH1A1TP53HTT
SCHEMBL5865848 0.73 SMN1; SMN2 (0.52) SMN1; SMN2TSHRALDH1A1TP53HTT
SCHEMBL9181571 0.70 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1TP53HTT
SCHEMBL9397394 0.70 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1TP53HTT
SCHEMBL778407 0.70 SMN1; SMN2 (0.48) SMN1; SMN2TSHRALDH1A1TP53HTT
Benzene SCHEMBL1357365 0.68 SMN1; SMN2 (0.46) SMN1; SMN2TSHRALDH1A1TP53HTT
SCHEMBL6461673 0.67 SMN1; SMN2 (0.36) SMN1; SMN2TSHRALDH1A1TP53HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042676-A1 Characterising polypeptides ELECTROPHORETICS LIMITED (GB) 2005-02-24 — — US disclosed
EP-1397505-A2 CHARACTERISING POLYPEPTIDES Xzillion GmbH & CO.KG (DE) 2004-03-17 — — EP disclosed
EP-1267170-A1 Method for characterising polypeptides Xzillion GmbH & CO.KG (DE) 2002-12-18 — — EP disclosed
WO-2002099124-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2002-12-12 — — WO disclosed
Send feedback