SCHEMBL9260282

SCHEMBL9260282

Cc1cccc(NC(=O)N(Cc2cccc(CN(C(=O)Nc3cccc(C)c3)C3CCCCCC3)c2)C2CCCCCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 8/20 0.62
UBE2M P61081 7/20 0.62
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
POLB P06746 3/20 0.53
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 3/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL9257297 0.89 DCUN1D1 (0.56) DCUN1D1UBE2MKDM4ECYP1A2CYP3A4
SCHEMBL9256017 0.88 ALDH1A1 (0.66) DCUN1D1UBE2MALDH1A1TP53
SCHEMBL9263254 0.87 ALDH1A1 (0.53) DCUN1D1UBE2MPOLBALDH1A1TP53
SCHEMBL10587275 0.86 DCUN1D1 (0.61) DCUN1D1UBE2MPOLBRAB9AALDH1A1
Hydrochloric Acid SCHEMBL9260026 0.86 ALDH1A1 (0.52) DCUN1D1UBE2MPOLBALDH1A1TP53
Hydrochloric Acid SCHEMBL9256917 0.85 DCUN1D1 (0.60) DCUN1D1UBE2MPOLBRAB9AALDH1A1
SCHEMBL9256258 0.85 TP53 (0.67) DCUN1D1UBE2MPOLBNPC1RAB9A
SCHEMBL13911285 0.84 DCUN1D1 (0.55) DCUN1D1UBE2MKDM4ECYP1A2CYP3A4
SCHEMBL9255607 0.84 ALDH1A1 (0.53) DCUN1D1UBE2MPOLBNPC1RAB9A
SCHEMBL9261691 0.84 ALDH1A1 (0.53) DCUN1D1UBE2MPOLBALDH1A1TP53

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