SCHEMBL19792104

SCHEMBL19792104

CCCC(C)(CN)NC(=O)CCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC1 Q13547 3/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 5/20 0.44
CTSB P07858 1/20 0.44
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL19791937 0.86 HPGD (0.49) HPGDHDAC3HDAC2HDAC8HDAC6
SCHEMBL12376675 0.77 HDAC2 (0.61) HPGDHDAC3HDAC2HDAC8HDAC6
SCHEMBL15837149 0.77 MEN1 (0.49) ALDH1A1CTSBRAB9A
SCHEMBL11904840 0.77 CTSB (0.54) HPGDHDAC3HDAC2HDAC8HDAC6
SCHEMBL11118046 0.73 HDAC2 (0.56) HPGDHDAC3HDAC2HDAC8HDAC6
SCHEMBL11904827 0.72 CTSB (0.58) HPGDHDAC3HDAC2HDAC8HDAC6
SCHEMBL15812190 0.71 ALDH1A1 (0.38) ALDH1A1KDM4ETDP1RAB9A
SCHEMBL16050236 0.71 HPGD (0.51) HPGDHDAC3HDAC2HDAC8HDAC6
SCHEMBL15143002 0.71 HDAC2 (0.53) HPGDHDAC3HDAC2HDAC8HDAC6
SCHEMBL4778260 0.71 HDAC2 (0.61) HDAC2HDAC8HDAC6HDAC1MAPT

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
EP-3272749-A1 AMINO-SUBSTITUTED IMIDAZO[1,2-A]PYRIDINECARBOXAMIDES AND THEIR USE AS STIMULATORS OF SOLUBLE GUANYLATE CYCLASE Bayer Pharma Aktiengesellschaft (DE) 2018-01-24 EP disclosed