SCHEMBL6132253

SCHEMBL6132253

C#Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
RAB9A P51151 1/20 0.43
AKR1C3 P42330 1/20 0.42
KMT2A Q03164 5/20 0.39
TSHR P16473 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 5/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
KDM4E B2RXH2 3/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6132255 1.00 MAPT (0.51) MAPTRAB9AAKR1C3KMT2ATSHR
SCHEMBL18436831 0.77 MAPT (0.57) MAPTRAB9AKMT2ATSHRALDH1A1
SCHEMBL327800 0.77 MAPT (0.57) MAPTRAB9AKMT2ATSHRALDH1A1
SCHEMBL7790503 0.77 MAPT (0.57) MAPTRAB9AKMT2ATSHRALDH1A1
SCHEMBL24352865 0.77 MAPT (0.57) MAPTRAB9AKMT2ATSHRALDH1A1
SCHEMBL23731989 0.77 MAPT (0.57) MAPTRAB9AKMT2ATSHRALDH1A1
SCHEMBL20456767 0.76 KMT2A (0.48) MAPTRAB9AKMT2AALDH1A1PIK3CA
SCHEMBL20217175 0.76 MAPT (0.56) MAPTRAB9AKMT2ATSHRALDH1A1
SCHEMBL13370273 0.76 MAPT (0.56) MAPTRAB9AKMT2ATSHRALDH1A1
SCHEMBL13144984 0.76 MAPT (0.56) MAPTRAB9AKMT2ATSHRALDH1A1

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