SCHEMBL13745754

SCHEMBL13745754

CN1CCC(C(=O)NCc2ccc(Cl)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
KMT2A Q03164 2/20 0.62
SLC13A5 Q86YT5 1/20 0.62
EPHX2 P34913 1/20 0.61
POLB P06746 1/20 0.60
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
MEN1 O00255 1/20 0.55

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
SCHEMBL8372164 0.87 MEN1 (0.61) ALDH1A1KMT2APOLBMEN1
SCHEMBL12993901 0.87 ALDH1A1 (0.67) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL11296859 0.86 MAPT (0.68) ALDH1A1KMT2ASLC13A5POLBMEN1
SCHEMBL13745563 0.86 ALDH1A1 (0.67) ALDH1A1KMT2ASLC13A5POLBCA12
SCHEMBL13746186 0.85 NPSR1 (0.72) ALDH1A1EPHX2POLB
SCHEMBL24423083 0.84 KMT2A (0.63) KMT2APOLBMEN1
SCHEMBL7486412 0.84 ALDH1A1 (0.58) ALDH1A1KMT2ASLC13A5EPHX2POLB
SCHEMBL13745506 0.83 ALDH1A1 (0.70) ALDH1A1POLB
SCHEMBL13746194 0.83 POLB (0.62) ALDH1A1KMT2APOLB
SCHEMBL7844706 0.83 ALDH1A1 (0.63) ALDH1A1EPHX2

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
WO-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed