SCHEMBL690830

SCHEMBL690830

CCNC(=O)c1cc(C(C)(C)C)cc(C(N)=O)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
NR5A2 O00482 1/20 0.41
NR5A1 Q13285 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
APEX1 P27695 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
MAPK10 P53779 1/20 0.35
RAB9A P51151 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
PRKCZ Q05513 1/20 0.34
GSK3A P49840 1/20 0.34

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
SCHEMBL690623 0.85 RARG (0.41) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL690167 0.84 MAPT (0.38) MEN1KMT2AEPHX2NR1H4MAPT
SCHEMBL690108 0.82 ALOX5 (0.39) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL1847649 0.80 GSK3A (0.42) LMNANR5A2NR5A1MEN1KMT2A
SCHEMBL14155437 0.79 POLB (0.43) LMNANR5A2NR5A1MEN1KMT2A
SCHEMBL689596 0.78 CNR1 (0.45) ALDH1A1RAB9AL3MBTL1
SCHEMBL689916 0.77 ALDH1A1 (0.44) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL1404705 0.76 RARG (0.38) MEN1KMT2AMAPTSMN1; SMN2TP53
SCHEMBL689665 0.75 MAPT (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL690317 0.75 RARG (0.36) MEN1KMT2AEPHX2NR1H4MAPT

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