SCHEMBL7752228

SCHEMBL7752228

COC(=O)c1ccc(CNc2cc(C(=O)NC3CCCCCN3)ccc2N)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPM1D O15297 2/20 0.43
ALOX15 P16050 2/20 0.41
HDAC1 Q13547 6/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC2 Q92769 1/20 0.38
LNPEP Q9UIQ6 2/20 0.37
EPHX1 P07099 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7752202 0.77 CA1 (0.52) PPM1DALOX15HDAC1CA1CA2
SCHEMBL7752260 0.76 MAPK8 (0.45) HDAC1CA1CA2LNPEPHDAC8
SCHEMBL7751013 0.75 MAPK8 (0.44) HDAC1CA1CA2LNPEPHDAC8
SCHEMBL16042130 0.71 CA1 (0.50) ALOX15HDAC1CA1CA2HDAC2
SCHEMBL7871463 0.71 HDAC1 (0.56) HDAC1CA1CA2HDAC3HDAC2
SCHEMBL23286785 0.71 CA1 (0.61) ALOX15HDAC1CA1CA2LNPEP
SCHEMBL7753298 0.70 NLRP3 (0.43) HPGD
SCHEMBL13017388 0.69 CA1 (0.53) HDAC1CA1CA2HDAC2LNPEP
SCHEMBL5363438 0.68 CA1 (0.51) CA1CA2LNPEPHDAC8ALDH1A1
SCHEMBL15320804 0.67 ALOX15 (0.83) PPM1DALOX15ALDH1A1HPGD

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
US-6242445-B1 CURATIVE EFFECTS FOR CARDIAC AND NEPHRIC DISEASES, ALTHOUGH HAVING LITTLE ACTION ON BLOOD-PRESSURE. KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-06-05 US disclosed
EP-1069113-A1 BENZIMIDAZOLE DERIVATIVE Kureha Chemical Industry Co., Ltd. (JP) 2001-01-17 EP disclosed