SCHEMBL10233191

SCHEMBL10233191

COc1c(NO)cc(C(C)(C)C)cc1SC

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.35
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
BCL2A1 Q16548 1/20 0.33
TP53 P04637 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30
PPARG P37231 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
SCHEMBL13458599 0.76 MAPK14 (0.34) MAPK14MAPTSMN1; SMN2BCL2A1TP53
SCHEMBL10233040 0.76 MAPT (0.39) MAPK14MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL13456553 0.74 CYP2C19 (0.30)
SCHEMBL10233192 0.73 MAPK14 (0.44) MAPK14MAPTBCL2A1
SCHEMBL10231144 0.72 AKR1C3 (0.45) MAPK14MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL13458591 0.72 MAPK14 (0.35) MAPK14MAPTSMN1; SMN2TP53GABRA1
SCHEMBL15086943 0.72 MAPK14 (0.44) MAPK14MAPTSMN1; SMN2ALDH1A1TP53
SCHEMBL10231614 0.72 MAPK14 (0.37) MAPK14MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL15086981 0.72 KDM4E (0.41) MAPK14MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL19050448 0.70 MAPK14 (0.33) MAPK14

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 disclosed