SCHEMBL9160736

SCHEMBL9160736

CCCCNc1cc(C)nn1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
TLR8 Q9NR97 1/20 0.42
CRHR1 P34998 3/20 0.41
F2 P00734 1/20 0.41
SOAT2 O75908 2/20 0.38
SOAT1 P35610 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ASAH1 Q13510 1/20 0.37
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NR4A2 P43354 1/20 0.36
DNM2 P50570 1/20 0.36
ADRA2A P08913 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3835193 0.80 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL4142888 0.78 MEN1 (0.61) MEN1KMT2ASMN1; SMN2ALDH1A1ASAH1
SCHEMBL7532787 0.75 SMN1; SMN2 (0.41) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL25059568 0.73 CYP1A2 (0.39) MEN1KMT2ACYP1A2TLR8CRHR1
SCHEMBL20156432 0.73 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL28746286 0.73 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2HTTLMNA
SCHEMBL7528107 0.73 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL4132285 0.72 MEN1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1ASAH1
SCHEMBL4135897 0.72 MEN1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1ASAH1
SCHEMBL4136924 0.72 MEN1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1ASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389660-A Hypotensive agents MERCK & CO., INC. (US) 1995-02-14 US disclosed
US-5164407-A Hypotensive agents MERCK & CO., INC. (US) 1992-11-17 US disclosed
EP-0407102-A1 Substituted imidazo-fused 5-membered ring heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1991-01-09 EP disclosed