SCHEMBL7287369

SCHEMBL7287369

O=C1CCc2cc(NC(=O)C3CCN(Cc4c(Cl)cccc4Cl)CC3)ccc2N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.51
▸ GAA P10253 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ SMYD3 Q9H7B4 2/20 0.48
▸ TRPV1 Q8NER1 3/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ROCK2 O75116 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL7295865 0.88 ROCK2 (0.60) GAAALDH1A1LMNASMYD3ROCK2
SCHEMBL7294948 0.82 PRKAB2 (0.56) TP53
SCHEMBL7294386 0.79 SMYD3 (0.55) TP53GAAALDH1A1LMNASMN1; SMN2
SCHEMBL7296573 0.79 SMYD3 (0.46) TP53GAAALDH1A1LMNASMN1; SMN2
SCHEMBL7297231 0.78 SMYD3 (0.61) TP53GAAALDH1A1LMNASMN1; SMN2
SCHEMBL7374128 0.72 LMNA (0.58) GAALMNAROCK2ROCK1KMT2A
SCHEMBL23143564 0.69 SMYD3 (0.68) TP53GAALMNASMYD3ROCK2
SCHEMBL16413790 0.69 HDAC3 (0.47) TP53GAALMNASMN1; SMN2SMYD3
SCHEMBL20291405 0.68 PKM (0.58) LMNATRPV1MEN1KMT2AHDAC3
SCHEMBL10366740 0.68 HDAC3 (0.61) SMYD3HDAC3HDAC4HDAC1HDAC2

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-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 — — EP disclosed
Send feedback