SCHEMBL1963280

SCHEMBL1963280

CCc1c(NC(N)=S)cccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCC1 P33527 3/20 0.51
▸ MASP2 O00187 1/20 0.48
▸ CLCN2 P51788 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 6/20 0.43
▸ POLB P06746 3/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15259641 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2AMAPTL3MBTL1
SCHEMBL11526133 0.79 CLCN2 (0.53) ABCC1MASP2CLCN2ALDH1A1KDM4E
SCHEMBL3627546 0.79 MASP2 (0.62) ABCC1MASP2ALDH1A1KDM4EPOLB
SCHEMBL8686783 0.78 CLCN2 (0.46) ABCC1MASP2CLCN2ALDH1A1KDM4E
SCHEMBL11526676 0.78 CLCN2 (0.51) ABCC1MASP2CLCN2ALDH1A1KDM4E
SCHEMBL1355391 0.76 ALDH1A1 (0.52) CLCN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL15777340 0.75 PARP1 (0.46) CLCN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL22289678 0.75 SIRT2 (0.51) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL14058983 0.74 KDM4E (0.47) ALDH1A1KDM4EPOLBKMT2AMAPT
SCHEMBL29630852 0.73 NPC1 (0.56) ALDH1A1KDM4EKMT2AMAPTNPC1

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-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 — — EP disclosed
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