SCHEMBL9263254

SCHEMBL9263254

Nc1cccc(NC(=O)N(Cc2cccc(CN(C(=O)Nc3cccc(N)c3)C3CCCCCC3)c2)C2CCCCCC2)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
DCUN1D1 Q96GG9 15/20 0.52
UBE2M P61081 12/20 0.52
TP53 P04637 4/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.48

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
Hydrochloric Acid SCHEMBL9260026 0.99 ALDH1A1 (0.52) ALDH1A1DCUN1D1UBE2MTP53POLB
SCHEMBL9255834 0.90 ALDH1A1 (0.53) ALDH1A1DCUN1D1UBE2MTP53POLB
Hydrochloric Acid SCHEMBL9262873 0.89 ALDH1A1 (0.52) ALDH1A1DCUN1D1UBE2MTP53POLB
SCHEMBL9256017 0.89 ALDH1A1 (0.66) ALDH1A1DCUN1D1UBE2MTP53
SCHEMBL9260282 0.87 DCUN1D1 (0.62) ALDH1A1DCUN1D1UBE2MTP53POLB
SCHEMBL9265519 0.85 ALDH1A1 (0.48) ALDH1A1DCUN1D1UBE2MTP53POLB
SCHEMBL10587275 0.85 DCUN1D1 (0.61) ALDH1A1DCUN1D1UBE2MTP53POLB
SCHEMBL9260667 0.84 ALDH1A1 (0.54) ALDH1A1DCUN1D1UBE2MTP53POLB
SCHEMBL9256258 0.84 TP53 (0.67) ALDH1A1DCUN1D1UBE2MTP53POLB
Hydrochloric Acid SCHEMBL9256917 0.84 DCUN1D1 (0.60) ALDH1A1DCUN1D1UBE2MTP53POLB

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 5 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-5227492-A Anticholesterol agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US 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