SCHEMBL9256258

SCHEMBL9256258

COc1cccc(NC(=O)N(Cc2cccc(CN(C(=O)Nc3cccc(OC)c3)C3CCCCCC3)c2)C2CCCCCC2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.67
POLB P06746 3/20 0.67
MAPT P10636 1/20 0.67
UBE2M P61081 5/20 0.62
DCUN1D1 Q96GG9 5/20 0.62
ROCK2 O75116 1/20 0.60
THRB P10828 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 3/20 0.54
USP2 O75604 2/20 0.54
NFKB1 P19838 1/20 0.51
CASP3 P42574 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51

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
SCHEMBL9264006 0.90 ROCK2 (0.61) TP53POLBMAPTUBE2MDCUN1D1
SCHEMBL9260282 0.85 DCUN1D1 (0.62) TP53POLBMAPTUBE2MDCUN1D1
SCHEMBL9256017 0.85 ALDH1A1 (0.66) TP53UBE2MDCUN1D1ALDH1A1SMN1; SMN2
SCHEMBL9263254 0.84 ALDH1A1 (0.53) TP53POLBMAPTUBE2MDCUN1D1
SCHEMBL9257513 0.83 THRB (0.50) TP53POLBMAPTUBE2MDCUN1D1
SCHEMBL10587275 0.83 DCUN1D1 (0.61) TP53POLBMAPTUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL9260026 0.83 ALDH1A1 (0.52) TP53POLBMAPTUBE2MDCUN1D1
Hydrochloric Acid SCHEMBL9256917 0.82 DCUN1D1 (0.60) TP53POLBMAPTUBE2MDCUN1D1
SCHEMBL9262760 0.82 LMNA (0.59) TP53POLBMAPTUBE2MDCUN1D1
SCHEMBL9257297 0.81 DCUN1D1 (0.56) TP53MAPTUBE2MDCUN1D1ROCK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384425-A Diurea derivatives useful as medicaments and processes for the preparation thereof YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-01-24 US disclosed
EP-0325397-B1 DIUREA DERIVATIVES USEFUL AS MEDICAMENTS AND PROCESSES FOR THE PREPARATION THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-18 EP disclosed
US-5166429-A Enzyme inhibitors of acylcoenzyme A cholesterol transferase as anticholesterol agents or antideposit agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-24 US disclosed
US-5091419-A Anticholesterol agent YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-02-25 US disclosed