SCHEMBL9256017

SCHEMBL9256017

O=C(Nc1ccccc1)N(Cc1cccc(CN(C(=O)Nc2ccccc2)C2CCCCC2)c1)C1CCCCC1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.66
DCUN1D1 Q96GG9 15/20 0.58
UBE2M P61081 13/20 0.58
TP53 P04637 1/20 0.57
ATM Q13315 1/20 0.57
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 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
SCHEMBL9260667 0.90 ALDH1A1 (0.54) ALDH1A1DCUN1D1UBE2MTP53ATM
SCHEMBL9260631 0.89 ALDH1A1 (0.56) ALDH1A1DCUN1D1UBE2MTP53ATM
SCHEMBL9257544 0.89 SLC6A9 (0.59) ALDH1A1DCUN1D1UBE2MTP53LMNA
SCHEMBL9265728 0.89 AGER (0.56) ALDH1A1DCUN1D1UBE2MTP53SMN1; SMN2
SCHEMBL9257297 0.89 DCUN1D1 (0.56) ALDH1A1DCUN1D1UBE2MTP53ATM
SCHEMBL9255607 0.89 ALDH1A1 (0.53) ALDH1A1DCUN1D1UBE2MTP53ATM
SCHEMBL9255834 0.89 ALDH1A1 (0.53) ALDH1A1DCUN1D1UBE2MTP53ATM
SCHEMBL9261691 0.89 ALDH1A1 (0.53) ALDH1A1DCUN1D1UBE2MTP53ATM
SCHEMBL9263254 0.89 ALDH1A1 (0.53) ALDH1A1DCUN1D1UBE2MTP53
Hydrochloric Acid SCHEMBL9262873 0.88 ALDH1A1 (0.52) ALDH1A1DCUN1D1UBE2MTP53ATM

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