SCHEMBL4276772

SCHEMBL4276772

Cc1c(CC=O)sc(=N)n1CC1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
KMT2A Q03164 5/20 0.47
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 3/20 0.40
KDM4E B2RXH2 3/20 0.38
MAPT P10636 4/20 0.38
EPHX2 P34913 1/20 0.37
POLB P06746 3/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2169596 0.80 KMT2A (0.50) ALDH1A1KMT2AHSD17B10GAARAB9A
SCHEMBL2169593 0.80 KMT2A (0.50) ALDH1A1KMT2AHSD17B10GAARAB9A
Bromide SCHEMBL3383397 0.79 KMT2A (0.49) ALDH1A1KMT2AHSD17B10GAARAB9A
SCHEMBL3382950 0.76 KMT2A (0.60) ALDH1A1KMT2AHSD17B10GAARAB9A
SCHEMBL3382955 0.76 KMT2A (0.60) ALDH1A1KMT2AHSD17B10GAARAB9A
Bromide SCHEMBL963221 0.75 KMT2A (0.44) ALDH1A1KMT2AHSD17B10GAARAB9A
SCHEMBL944233 0.67 KMT2A (0.41) ALDH1A1KMT2AHSD17B10GAARAB9A
SCHEMBL944234 0.67 KMT2A (0.41) ALDH1A1KMT2AHSD17B10GAARAB9A
SCHEMBL3383161 0.67 KMT2A (0.41) ALDH1A1KMT2AHSD17B10GAARAB9A
SCHEMBL15135268 0.66 KMT2A (0.38) ALDH1A1KMT2AHSD17B10GAARAB9A

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
EP-2038266-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-03-25 EP disclosed
WO-2007140385-A2 THIAZOLE COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed