SCHEMBL11627440

SCHEMBL11627440

CCCCCC(=O)Nc1cccc(NC(=O)N(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
EPHX2 P34913 1/20 0.54
ICMT O60725 1/20 0.53
ALB P02768 1/20 0.53
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53

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
SCHEMBL11901010 0.89 LMNA (0.69) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10969527 0.85 KDM4E (0.72) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11862075 0.83 POLB (0.68) LMNARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9704955 0.81 LMNA (0.59) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL19019393 0.81 TP53 (0.69) HDAC6
SCHEMBL11132798 0.81 HDAC4 (0.63) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL31091436 0.81 HDAC3 (0.78) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL14483841 0.81 HDAC3 (0.78) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11864941 0.81 LMNA (0.62) LMNANPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11628083 0.80 TP53 (0.50) KDM4EMEN1KMT2AHDAC6

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-4067726-A 3-Ureido phenylacetamide herbicides BAYER AKTIENGESELLSCHAFT (DT) 1978-01-10 US claimed