SCHEMBL7956244

SCHEMBL7956244

N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCN(c4ccncc4)CC3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.65
NAMPT P43490 3/20 0.59
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 3/20 0.49
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 1/20 0.47
NR2F2 P24468 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.46
HRH3 Q9Y5N1 3/20 0.44
HRH1 P35367 1/20 0.44
NPC1 O15118 1/20 0.44
TNF P01375 1/20 0.44
PAX8 Q06710 1/20 0.44
NOD2 Q9HC29 1/20 0.44
NOD1 Q9Y239 1/20 0.44
KCNH2 Q12809 2/20 0.44

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
SCHEMBL5783946 0.85 CYP19A1 (0.79) CYP19A1NAMPTLMNASMN1; SMN2HTT
SCHEMBL7956461 0.84 ALDH1A1 (0.54) CYP19A1LMNASMN1; SMN2HTTRAB9A
SCHEMBL7956239 0.84 CYP19A1 (0.46) CYP19A1NAMPTLMNASMN1; SMN2RAB9A
SCHEMBL7958990 0.81 ALDH1A1 (0.60) NAMPTLMNASMN1; SMN2HTTRAB9A
SCHEMBL27083321 0.81 LMNA (0.61) NAMPTLMNASMN1; SMN2HTTRAB9A
SCHEMBL4891523 0.81 CYP19A1 (0.73) CYP19A1NAMPTLMNASMN1; SMN2HTT
SCHEMBL27083314 0.81 POLB (0.61) NAMPTLMNASMN1; SMN2HTTRAB9A
SCHEMBL27083342 0.80 LMNA (0.59) NAMPTLMNASMN1; SMN2HTTRAB9A
SCHEMBL7956237 0.80 GAA (0.44) NAMPTLMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL27083364 0.79 HTT (0.61) NAMPTLMNASMN1; SMN2HTTRAB9A

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-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed