SCHEMBL7983776

SCHEMBL7983776

N#Cc1ccc(S(=O)(=O)NCc2ccc(OCCCCOc3ccc(CNS(=O)(=O)c4ccc(C#N)cc4)cc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.78
LMNA P02545 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
HTT P42858 2/20 0.60
TSHR P16473 2/20 0.60
NAMPT P43490 1/20 0.52
ALDH1A1 P00352 4/20 0.51
NR2F2 P24468 1/20 0.51
RAB9A P51151 1/20 0.51
CACNA1H O95180 2/20 0.51
CACNA1B Q00975 2/20 0.51
AR P10275 1/20 0.50
CNR1 P21554 1/20 0.47
NSD2 O96028 1/20 0.46

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
SCHEMBL7972331 0.99 CYP19A1 (0.76) CYP19A1LMNASMN1; SMN2HTTTSHR
SCHEMBL7983880 0.99 CYP19A1 (0.76) CYP19A1LMNASMN1; SMN2HTTTSHR
SCHEMBL7986035 0.97 CYP19A1 (0.78) CYP19A1LMNASMN1; SMN2HTTTSHR
SCHEMBL7983897 0.96 CYP19A1 (0.80) CYP19A1LMNASMN1; SMN2HTTTSHR
SCHEMBL7983044 0.85 CYP19A1 (0.72) CYP19A1LMNASMN1; SMN2HTTTSHR
SCHEMBL7989727 0.84 CYP19A1 (0.55) CYP19A1LMNASMN1; SMN2HTTTSHR
SCHEMBL7982844 0.83 CYP19A1 (0.53) CYP19A1LMNASMN1; SMN2HTTTSHR
SCHEMBL7972170 0.83 CYP19A1 (0.53) CYP19A1LMNASMN1; SMN2HTTTSHR
SCHEMBL7973407 0.82 CYP19A1 (0.55) CYP19A1LMNASMN1; SMN2HTTTSHR
SCHEMBL20946444 0.81 CYP19A1 (0.85) CYP19A1NAMPTNSD2

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-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed