SCHEMBL9158917

SCHEMBL9158917

Nc1ccc(C(=O)NN2CCCCC2)cc1O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
PKM P14618 1/20 0.43
CNR2 P34972 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CNR1 P21554 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP2D6 P10635 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL5924536 1.00 HTT (0.55) HTTPKMCNR2ALDH1A1KMT2A
SCHEMBL5924407 0.98 HTT (0.53) HTTPKMCNR2ALDH1A1KMT2A
SCHEMBL2955197 0.88 HTT (0.58) HTTPKMCNR2ALDH1A1KMT2A
SCHEMBL9064272 0.88 HTT (0.58) HTTPKMCNR2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL2954100 0.86 HTT (0.57) HTTPKMCNR2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL2954104 0.86 HTT (0.57) HTTPKMCNR2ALDH1A1KMT2A
SCHEMBL2952902 0.86 HTT (0.56) HTTPKMCNR2ALDH1A1KMT2A
SCHEMBL9158266 0.85 SMN1; SMN2 (0.58) HTTALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL5924570 0.85 CYP2D6 (0.58) ALDH1A1KMT2ALMNAHDAC8HDAC6
SCHEMBL13575472 0.80 HTT (0.50) HTTALDH1A1KMT2ASMN1; SMN2NPC1

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-5476849-A Inhibiting advanced glycosylation and/or crosslinking of target protein THE ROCKEFELLER UNIVERSITY (US) 1995-12-19 US disclosed