SCHEMBL20490397

SCHEMBL20490397

CN1CCCN(c2ccc(C(C(=O)NO)c3ccccc3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
USP2 O75604 1/20 0.57
ESR1 P03372 1/20 0.57
NR4A1 P22736 1/20 0.57
PTK2B Q14289 1/20 0.57
HDAC4 P56524 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL2837033 0.95 HDAC4 (0.58) MAPTKMT2ANPSR1USP2ESR1
SCHEMBL4531998 0.91 MAPT (0.68) MAPTKMT2ANPSR1USP2ESR1
SCHEMBL2840798 0.88 MAPT (0.72) MAPTKMT2ANPSR1USP2ESR1
SCHEMBL20490210 0.87 MAPT (0.70) MAPTKMT2ANPSR1USP2ESR1
SCHEMBL2843817 0.87 MAPT (0.70) MAPTKMT2ANPSR1USP2ESR1
SCHEMBL2837573 0.87 HDAC4 (0.66) MAPTKMT2ANPSR1USP2ESR1
SCHEMBL20490187 0.86 MAPT (0.56) MAPTKMT2ANPSR1USP2ESR1
SCHEMBL20490304 0.84 HDAC4 (0.54) MAPTKMT2ANPSR1USP2ESR1
SCHEMBL2844935 0.83 HDAC3 (0.57) MAPTKMT2ANPSR1USP2ESR1
SCHEMBL20490609 0.83 MAPT (0.65) MAPTKMT2ANPSR1USP2ESR1

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-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP claimed
EP-2139850-B1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC (CA) 2018-09-12 EP disclosed