SCHEMBL11633948

SCHEMBL11633948

O=C(NC1CCCC1)NS(=O)(=O)c1cc(C(=O)CBr)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ ADORA3 P0DMS8 1/20 0.44
▸ PPARG P37231 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ HSD11B1 P28845 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL11635788 0.99 CNR2 (0.52) CNR2ALDH1A1TDP1LMNATHRB
SCHEMBL11525232 0.86 ALDH1A1 (0.53) CNR2ALDH1A1TDP1LMNAKMT2A
SCHEMBL11527071 0.85 ALDH1A1 (0.52) CNR2ALDH1A1TDP1LMNAKMT2A
SCHEMBL11636062 0.85 ALDH1A1 (0.64) CNR2ALDH1A1TDP1LMNATHRB
SCHEMBL11632430 0.84 ALDH1A1 (0.66) CNR2ALDH1A1TDP1LMNATHRB
SCHEMBL11632341 0.81 POLB (0.42) ALDH1A1TDP1TSHRKMT2ACYP2C19
SCHEMBL11528664 0.78 KMT2A (0.51) CNR2ALDH1A1TDP1LMNATSHR
SCHEMBL11632049 0.78 POLB (0.44) TDP1TSHRKMT2ACYP2C19MEN1
SCHEMBL30484960 0.76 ALDH1A1 (0.64) ALDH1A1TDP1LMNATHRBTSHR
SCHEMBL11634436 0.76 MEN1 (0.50) CNR2ALDH1A1TDP1LMNATHRB

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
US-4083979-A Thiazolidine derivatives and their use as salidiuretics HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-11 — — US disclosed
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