SCHEMBL10907003

SCHEMBL10907003

CNC(=N)NC(=O)Nc1c(Cl)cc(OCc2ccccc2)c(OCc2ccccc2)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLCN2 P51788 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM3 P20309 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BRD4 O60885 3/20 0.40
MCL1 Q07820 1/20 0.40
PPIA P62937 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 2/20 0.38
SGMS2 Q8NHU3 1/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL10903715 0.86 CLCN2 (0.55) CLCN2KDM4ECHRM4CHRM3BRD4
SCHEMBL10903888 0.86 BRD4 (0.43) CLCN2KDM4ECHRM4CHRM3MEN1
SCHEMBL10907005 0.84 NPC1 (0.46) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10907022 0.82 LMNA (0.40) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL10907692 0.82 PTPN1 (0.44) SMN1; SMN2MEN1KMT2ABRD4MCL1
SCHEMBL10906934 0.80 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2MEN1KMT2ABRD4
SCHEMBL10903906 0.80 BRD4 (0.44) SMN1; SMN2MEN1KMT2ABRD4MCL1
SCHEMBL10905809 0.78 BRD4 (0.42) SMN1; SMN2MEN1KMT2ABRD4PPIA
SCHEMBL10903742 0.78 SLC6A5 (0.42) KDM4ESMN1; SMN2MEN1KMT2ABRD4
SCHEMBL10905431 0.77 KDM4E (0.41) CLCN2KDM4ECHRM4CHRM3BRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4564640-A Amidinoureas substituted in both the urea and amidino nitrogen positions WILLIAM H. RORER, INC. (US) 1986-01-14 US disclosed