SCHEMBL8050161

SCHEMBL8050161

O=CN[C@H]1c2ccccc2C[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RX7 Q99572 1/20 0.43
MMP9 P14780 4/20 0.42
MMP1 P03956 3/20 0.42
MMP2 P08253 3/20 0.42
MMP8 P22894 3/20 0.42
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40

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
SCHEMBL8017605 1.00 NAMPT (0.43) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL8013654 1.00 NAMPT (0.43) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL13783748 1.00 NAMPT (0.43) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL15036653 0.79 MAOB (0.39) KMT2AMMP9MMP1MMP2MMP8
SCHEMBL8838933 0.77 MEN1 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL1239662 0.77 MEN1 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL8279734 0.77 MEN1 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL21916831 0.77 P2RX7 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL8351029 0.77 MEN1 (0.46) NAMPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL18539300 0.77 AURKA (0.43) NAMPTMEN1ALDH1A1KMT2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991772-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS Biocatalytics, Inc. (US) 2000-04-12 EP disclosed
US-5942644-A Precursors for the production of chiral vicinal aminoalcohols BIOCATALYTICS, INC. (US) 1999-08-24 US disclosed
WO-1998054350-A1 METHODS AND PRECURSORS FOR THE PRODUCTION OF CHIRAL VICINAL AMINOALCOHOLS BIOCATALYTICS, INC. (US) 1998-12-03 WO disclosed