SCHEMBL9503970

SCHEMBL9503970

CCc1ccc(C(=S)NCCCSC)cc1NCCCCCCl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
HDAC8 Q9BY41 1/20 0.32
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ACAT1 P24752 1/20 0.31
NAMPT P43490 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
SCHEMBL9502277 0.99 MAPT (0.35) MAPTHDAC8POLBALDH1A1NAMPT
SCHEMBL9503117 0.85 ACAT1 (0.38) MAPTPOLBACAT1
SCHEMBL9503202 0.85 KMT2A (0.36) MAPTALDH1A1ACAT1
SCHEMBL9692984 0.85 ACAT1 (0.38) MAPTPOLBACAT1
SCHEMBL9505639 0.83 HPGD (0.34) MAPTHDAC8POLBACAT1NAMPT
SCHEMBL9692777 0.83 ALDH1A1 (0.38) MAPTHDAC8ALDH1A1NAMPT
SCHEMBL9675548 0.78 MAPT (0.40) MAPTPOLBALDH1A1NAMPT
SCHEMBL9502413 0.77 CETP (0.42) HDAC8ALDH1A1ACAT1
SCHEMBL9692530 0.77 CETP (0.42) HDAC8ALDH1A1ACAT1
SCHEMBL9502962 0.77 CETP (0.42) HDAC8ALDH1A1ACAT1

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-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed