SCHEMBL14334867

SCHEMBL14334867

COC(=O)c1ccc(N2CCN(CC3CCCC3)CC2)c(N)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.66
▸ NPC1 O15118 3/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ NPSR1 Q6W5P4 1/20 0.66
▸ ALDH1A1 P00352 5/20 0.65
▸ MAPT P10636 4/20 0.65
▸ HPGD P15428 3/20 0.65
▸ PRMT1 Q99873 1/20 0.51
▸ HSD17B10 Q99714 5/20 0.47
▸ GAA P10253 4/20 0.47
▸ POLB P06746 2/20 0.47
▸ NR4A1 P22736 1/20 0.47
▸ GLA P06280 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 1/20 0.43

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
SCHEMBL14335036 0.83 MAPT (0.62) KDM4ESMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL14334364 0.81 KDM4E (0.73) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL7432215 0.81 KDM4E (0.97) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL27791208 0.81 KDM4E (0.68) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL14334413 0.81 KDM4E (0.67) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL31038267 0.80 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL195575 0.80 KDM4E (1.00) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL14334861 0.80 KDM4E (0.67) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL3435086 0.77 KDM4E (0.77) KDM4ENPC1RAB9ASMN1; SMN2NPSR1
SCHEMBL26112593 0.76 CCR2 (0.46) KDM4ENPC1RAB9ASMN1; SMN2NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 — — WO disclosed
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 — — WO disclosed
Send feedback