SCHEMBL9875889

SCHEMBL9875889

CCCCCOc1ccc(CCc2ccc(F)nc2F)cc1.CCCOc1ccc(CCc2ccc(F)nc2F)cc1.COc1ccc(CCc2ccc(F)nc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38

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
SCHEMBL9766687 0.97 L3MBTL1 (0.38) CASP3SENP8SENP7SENP6ATP4A
SCHEMBL9161261 0.93 MEN1 (0.43) LMNASMN1; SMN2MEN1USP2ALDH1A1
SCHEMBL9158863 0.90 LMNA (0.46) LMNASMN1; SMN2HTTL3MBTL1ALDH1A1
SCHEMBL9159089 0.90 PKM (0.43) LMNASMN1; SMN2L3MBTL1MEN1USP2
SCHEMBL9152820 0.89 CYP3A4 (0.44) LMNASMN1; SMN2L3MBTL1MEN1USP2
SCHEMBL9158993 0.87 ACACB (0.44) LMNASMN1; SMN2HTTL3MBTL1MEN1
SCHEMBL9155906 0.87 CYP2D6 (0.47) LMNASMN1; SMN2L3MBTL1MEN1USP2
SCHEMBL9155931 0.85 TAAR1 (0.44) L3MBTL1ALDH1A1
SCHEMBL9766609 0.83 ACACB (0.41) LMNASMN1; SMN2HTTL3MBTL1MEN1
SCHEMBL9158851 0.80 NQO1 (0.42) LMNASMN1; SMN2TSHRL3MBTL1MEN1

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
WO-1991004248-A1 PYRIDINE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO disclosed