SCHEMBL689659

SCHEMBL689659

COc1c(C[S+](C)[O-])cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.35
RXRA P19793 1/20 0.35
PPARG P37231 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
MAPK10 P53779 1/20 0.34
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
IKBKB O14920 1/20 0.31
HTR2A P28223 1/20 0.31
ELANE P08246 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL689665 0.82 MAPT (0.41) RARGRXRAPPARGMEN1KMT2A
SCHEMBL690623 0.80 RARG (0.41) RARGRXRAPPARGMEN1KMT2A
SCHEMBL690694 0.79 MEN1 (0.31) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL15743699 0.79 HTR1D (0.33) POLB
SCHEMBL5110866 0.78 CYP2C19 (0.50) RARGRXRAPPARGMEN1KMT2A
SCHEMBL5117060 0.78 MEN1 (0.37) RARGRXRAPPARGMEN1KMT2A
SCHEMBL688392 0.77 MAPK14 (0.38) RARGRXRAPPARGMEN1KMT2A
SCHEMBL16829482 0.77 MAPK14 (0.38) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL15086934 0.77 MAPK14 (0.33) MEN1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL689738 0.76 PKM (0.41) RARGRXRAPPARGMEN1KMT2A

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-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP claimed