SCHEMBL9257537

SCHEMBL9257537

O=C(Nc1ccc([N+](=O)[O-])cc1)N(Cc1cccc(CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C2CCCCCC2)c1)C1CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 7/20 0.52
UBE2M P61081 6/20 0.52
ALDH1A1 P00352 3/20 0.49
EPHX1 P07099 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP19A1 P11511 1/20 0.47
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ROCK2 O75116 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NAMPT P43490 1/20 0.45
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL9260171 0.90 UBE2M (0.64) DCUN1D1UBE2MALDH1A1MEN1KMT2A
SCHEMBL9260667 0.85 ALDH1A1 (0.54) DCUN1D1UBE2MALDH1A1MAPTROCK2
SCHEMBL9256017 0.85 ALDH1A1 (0.66) DCUN1D1UBE2MALDH1A1SMN1; SMN2TP53
SCHEMBL9257544 0.84 SLC6A9 (0.59) DCUN1D1UBE2MALDH1A1ROCK2SMN1; SMN2
SCHEMBL9261691 0.84 ALDH1A1 (0.53) DCUN1D1UBE2MALDH1A1MAPTROCK2
SCHEMBL9257297 0.84 DCUN1D1 (0.56) DCUN1D1UBE2MALDH1A1MAPTROCK2
SCHEMBL9255834 0.84 ALDH1A1 (0.53) DCUN1D1UBE2MALDH1A1EPHX1MAPT
SCHEMBL9265728 0.84 AGER (0.56) DCUN1D1UBE2MALDH1A1ROCK2SMN1; SMN2
SCHEMBL9255607 0.84 ALDH1A1 (0.53) DCUN1D1UBE2MALDH1A1MAPTROCK2
Hydrochloric Acid SCHEMBL9262873 0.83 ALDH1A1 (0.52) DCUN1D1UBE2MALDH1A1EPHX1MAPT

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