SCHEMBL6209311

SCHEMBL6209311

CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ KMT2A Q03164 3/20 0.59
▸ USP2 O75604 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ PKM P14618 1/20 0.59
▸ NPSR1 Q6W5P4 4/20 0.56
▸ CYP1A2 P05177 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C19 P33261 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ THRB P10828 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPT P10636 3/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ SLC27A1 Q6PCB7 3/20 0.52

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
SCHEMBL4197541 0.78 ALDH1A1 (0.78) ALDH1A1MAPK1KMT2AUSP2TSHR
SCHEMBL6213422 0.78 BCHE (0.45) ALDH1A1MAPK1KMT2AUSP2TSHR
SCHEMBL18389044 0.74 ALDH1A1 (1.00) ALDH1A1MAPK1KMT2AUSP2TSHR
SCHEMBL4215730 0.74 ALDH1A1 (0.71) ALDH1A1MAPK1KMT2AUSP2TSHR
SCHEMBL4215906 0.71 ALDH1A1 (1.00) ALDH1A1MAPK1USP2TSHRPKM
SCHEMBL6412028 0.70 GAA (0.80) ALDH1A1MAPK1KMT2AUSP2TSHR
SCHEMBL11888617 0.70 LMNA (0.67) ALDH1A1MAPK1NPSR1HTTLMNA
SCHEMBL15983692 0.70 ALDH1A1 (1.00) ALDH1A1KMT2AUSP2TSHRMEN1
SCHEMBL18559233 0.70 MAPT (1.00) ALDH1A1MAPK1USP2TSHRMAPT
SCHEMBL6405002 0.68 ALDH1A1 (0.64) ALDH1A1KMT2AUSP2TSHRMEN1

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-1553179-A1 MOUSE-ORIGIN PROTEINS FORMING DOMAIN OR USE THEREOF Riken (JP) 2005-07-13 — — EP disclosed
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