SCHEMBL14334413

SCHEMBL14334413

COC(=O)c1ccc(N2CCN(C(=O)C3CCCC3)CC2)c(N)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.67
▸ NPC1 O15118 3/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ MAPT P10636 5/20 0.67
▸ ALDH1A1 P00352 5/20 0.67
▸ HPGD P15428 3/20 0.67
▸ TSHR P16473 2/20 0.50
▸ HSD17B10 Q99714 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ GAA P10253 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ NR4A1 P22736 1/20 0.48
▸ GLA P06280 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ CASP7 P55210 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL14334390 0.83 MAPT (0.59) KDM4ESMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL14334364 0.82 KDM4E (0.73) KDM4ENPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL7432215 0.82 KDM4E (0.97) KDM4ENPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL31038267 0.81 KDM4E (1.00) KDM4ENPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL195575 0.81 KDM4E (1.00) KDM4ENPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL3435086 0.81 KDM4E (0.77) KDM4ENPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL14334867 0.81 KDM4E (0.66) KDM4ENPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL28593810 0.80 ALDH1A1 (0.69) NPC1RAB9ANPSR1SMN1; SMN2MAPT
SCHEMBL103154 0.79 KDM4E (0.67) KDM4ENPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL31615949 0.79 KDM4E (0.67) KDM4ENPC1RAB9ANPSR1SMN1; SMN2

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
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