SCHEMBL11527720

SCHEMBL11527720

CCNCc1ccc(N(C(C)(C)C)C(C)(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GFER P55789 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
CHRM2 P08172 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CNR2 P34972 1/20 0.33
PARP1 P09874 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
NOS1 P29475 1/20 0.33
CA12 O43570 1/20 0.33

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
SCHEMBL11529766 0.85 HRH4 (0.49) HRH4HRH3LMNASMN1; SMN2MEN1
SCHEMBL11529810 0.82 HRH4 (0.59) HRH4HRH3LMNASMN1; SMN2MEN1
SCHEMBL11529676 0.81 HRH4 (0.62) HRH4HRH3LMNASMN1; SMN2CHRM2
SCHEMBL11532036 0.81 HRH4 (0.62) HRH4HRH3LMNASMN1; SMN2CHRM2
SCHEMBL11533359 0.81 HRH4 (0.62) HRH4HRH3LMNASMN1; SMN2CHRM2
SCHEMBL11529043 0.80 LOXL2 (0.45) ALDH1A1MAPK1CNR2PARP1NOS1
SCHEMBL9180552 0.78 LMNA (0.52) HRH4HRH3LMNASMN1; SMN2MEN1
SCHEMBL1038338 0.78 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPK1CA1
SCHEMBL11528386 0.76 LMNA (0.58) LMNASMN1; SMN2MEN1KMT2AGFER
SCHEMBL3969937 0.74 CA1 (0.54) MEN1KMT2ACYP1A2CYP2C19CA1

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-4157343-A Preparation of aromatic diamines UOP INC. (US) 1979-06-05 US disclosed