SCHEMBL8069752

SCHEMBL8069752

CC1(C)CC(=O)c2cc(C#N)c(Cl)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 4/20 0.48
MAPT P10636 1/20 0.48
MAOB P27338 9/20 0.46
GAA P10253 3/20 0.40
HPGD P15428 2/20 0.40
CASP1 P29466 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 2/20 0.40
CASP7 P55210 1/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL6559398 0.83 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL8882349 0.81 KDM4E (0.49) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL6559969 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL30888694 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL3262766 0.75 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL7269382 0.74 MAPT (0.61) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL30523691 0.74 MAOB (0.66) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL20766465 0.74 MAOB (0.66) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL10610370 0.72 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMAOBGAA
SCHEMBL7828336 0.72 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMAOBGAA

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-6071953-A Sulfonamide-substituted chromans, processes for their preparation, their use as medicament or diagnostic aid, and medicament comprising them HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-06 US disclosed
EP-0860440-A1 Sulfonamido substituted chromane derivatives with potassium channel blocking activity HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-26 EP disclosed