SCHEMBL14715524

SCHEMBL14715524

CCOC(=O)CCc1ccc(/C(Nc2ccc(C(C)(C)N)cc2)=C2/C(=O)Nc3cc(F)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
BACE1 P56817 1/20 0.38
EPHX2 P34913 1/20 0.37
AURKA O14965 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
MAPK14 Q16539 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
AURKB Q96GD4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
CASP3 P42574 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL226867 0.91 GPBAR1 (0.37) MAPTSMN1; SMN2LMNABACE1EPHX2
SCHEMBL228102 0.88 BACE1 (0.38) MAPTBACE1EPHX2AURKAGPBAR1
SCHEMBL228101 0.88 BACE1 (0.38) MAPTBACE1EPHX2AURKAGPBAR1
SCHEMBL224405 0.87 BACE1 (0.38) MAPTSMN1; SMN2LMNABACE1EPHX2
SCHEMBL225210 0.86 SMN1; SMN2 (0.46) MAPTSMN1; SMN2LMNABACE1MEN1
SCHEMBL225214 0.85 NR1H4 (0.44) BACE1EPHX2MEN1KMT2ANR1H4
SCHEMBL223437 0.84 BACE1 (0.39) MAPTSMN1; SMN2BACE1AURKAMEN1
SCHEMBL226996 0.84 KMT2A (0.44) MAPTSMN1; SMN2BACE1MEN1KMT2A
SCHEMBL226475 0.84 BACE1 (0.38) MAPTBACE1AURKAGPBAR1MEN1
SCHEMBL226476 0.84 BACE1 (0.38) MAPTBACE1AURKAGPBAR1MEN1

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-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP claimed