SCHEMBL6132879

SCHEMBL6132879

Nc1nnc(-c2ccc(N3CCC(OC4CCCCC4)CC3)cc2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
PIM1 P11309 8/20 0.42
PIM3 Q86V86 8/20 0.42
PIM2 Q9P1W9 8/20 0.42
MGAM O43451 3/20 0.42
GAA P10253 3/20 0.42
SI P14410 3/20 0.42
MGAM2 Q2M2H8 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
NOTUM Q6P988 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HPGD P15428 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL3113153 0.85 PIM1 (0.42) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL13098826 0.83 PIM1 (0.43) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL7325194 0.82 GAA (0.53) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL6134446 0.81 KDM4E (0.51) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL8160141 0.81 KDM4E (0.54) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL6134574 0.80 KDM4E (0.53) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL6134325 0.79 KDM4E (0.61) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL6135056 0.78 RAB9A (0.57) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL6134549 0.77 KDM4E (0.43) KDM4EALDH1A1HSD17B10TP53MAPT
SCHEMBL13098863 0.77 HRH3 (0.34) ALDH1A1TP53MAPTHRH3

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed