SCHEMBL9256240

SCHEMBL9256240

CNc1ccc(NC(=O)N(Cc2cccc(CN(C(=O)Nc3ccc(N(C)C)cc3)C3CCCCCC3)c2)C2CCCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
DCUN1D1 Q96GG9 9/20 0.47
UBE2M P61081 8/20 0.47
ROCK2 O75116 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
EPHX1 P07099 1/20 0.46
TP53 P04637 4/20 0.45
ATM Q13315 1/20 0.44
MAPT P10636 2/20 0.43
NTRK1 P04629 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL9263610 0.96 ALDH1A1 (0.51) ALDH1A1DCUN1D1UBE2MROCK2SMN1; SMN2
Hydrochloric Acid SCHEMBL6340546 0.95 ALDH1A1 (0.50) ALDH1A1DCUN1D1UBE2MROCK2SMN1; SMN2
SCHEMBL9261691 0.93 ALDH1A1 (0.53) ALDH1A1DCUN1D1UBE2MROCK2SMN1; SMN2
SCHEMBL9265519 0.88 ALDH1A1 (0.48) ALDH1A1DCUN1D1UBE2MROCK2SMN1; SMN2
SCHEMBL10587275 0.86 DCUN1D1 (0.61) ALDH1A1DCUN1D1UBE2MTP53ATM
Hydrochloric Acid SCHEMBL9256917 0.85 DCUN1D1 (0.60) ALDH1A1DCUN1D1UBE2MTP53ATM
SCHEMBL9255607 0.84 ALDH1A1 (0.53) ALDH1A1DCUN1D1UBE2MROCK2SMN1; SMN2
SCHEMBL9257297 0.84 DCUN1D1 (0.56) ALDH1A1DCUN1D1UBE2MROCK2SMN1; SMN2
SCHEMBL9260667 0.83 ALDH1A1 (0.54) ALDH1A1DCUN1D1UBE2MROCK2SMN1; SMN2
SCHEMBL9256017 0.83 ALDH1A1 (0.66) ALDH1A1DCUN1D1UBE2MSMN1; SMN2TP53

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 6 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
EP-0325397-A1 Diurea derivatives useful as medicaments and processes for the preparation thereof YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1989-07-26 EP disclosed