SCHEMBL8318684

SCHEMBL8318684

CC(=O)CNS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.65
KAT6A Q92794 3/20 0.63
ALDH1A1 P00352 6/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
CYP19A1 P11511 1/20 0.57
POLB P06746 1/20 0.56
LMNA P02545 2/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
PKM P14618 1/20 0.54
TPSAB1 Q15661 1/20 0.53

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
SCHEMBL6438335 0.86 ALDH1A1 (0.69) CTSSKAT6AALDH1A1L3MBTL1CYP19A1
SCHEMBL8954769 0.84 KAT6A (0.63) CTSSKAT6AALDH1A1L3MBTL1CYP19A1
SCHEMBL6848743 0.84 KAT6A (0.63) CTSSKAT6AALDH1A1L3MBTL1CYP19A1
Hydrochloric Acid SCHEMBL27487670 0.83 KAT6A (0.61) CTSSKAT6AALDH1A1L3MBTL1CYP19A1
SCHEMBL1771503 0.83 CTSS (0.67) CTSSKAT6AALDH1A1CYP19A1PKM
SCHEMBL10420167 0.81 GAA (0.65) CTSSKAT6AALDH1A1L3MBTL1CYP19A1
SCHEMBL14045828 0.81 ALDH1A1 (0.59) CTSSKAT6AALDH1A1L3MBTL1CYP19A1
SCHEMBL7299158 0.80 ACACB (0.60) CTSSKAT6AALDH1A1L3MBTL1CYP19A1
SCHEMBL3687956 0.80 L3MBTL1 (0.66) CTSSKAT6AALDH1A1L3MBTL1CYP19A1
SCHEMBL10788040 0.80 MMP1 (0.59) ALDH1A1POLBLMNAGAASMN1; SMN2

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
WO-2004067522-A1 AZAPHENYLALANINE DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS LEK PHARMACEUTICALS D.D. (SI) 2004-08-12 WO disclosed