SCHEMBL7474130

SCHEMBL7474130

CC1CN(c2ccnc3ccc([N+](=O)[O-])cc23)CC(C)N1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR6 P50406 1/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
PARP1 P09874 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NCF1 P14598 1/20 0.39
EIF2AK2 P19525 1/20 0.39

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
SCHEMBL7475609 0.87 ALDH1A1 (0.61) HTTL3MBTL1SIGMAR1HTR6ALDH1A1
SCHEMBL7532954 0.87 ALDH1A1 (0.61) HTTL3MBTL1SIGMAR1HTR6ALDH1A1
SCHEMBL7532960 0.87 ALDH1A1 (0.61) HTTL3MBTL1SIGMAR1HTR6ALDH1A1
SCHEMBL7534695 0.80 HTR6 (0.48) HTTL3MBTL1SIGMAR1HTR6ALDH1A1
SCHEMBL7467872 0.79 EIF2AK2 (0.55) HTTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL7480479 0.79 NCF1 (0.62) HTR6ALDH1A1NCF1
SCHEMBL3947283 0.79 HTR6 (0.46) HTTSIGMAR1HTR6PARP1KMT2A
SCHEMBL7531418 0.78 HTR6 (0.51) L3MBTL1HTR6ALDH1A1LMNAPARP1
SCHEMBL7531412 0.78 HTR6 (0.51) L3MBTL1HTR6ALDH1A1LMNAPARP1
SCHEMBL16549301 0.77 ALDH1A1 (0.57) HTTALDH1A1LMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1228066-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2002-08-07 EP disclosed
WO-2001032646-A2 SULFONAMIDE DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-10 WO disclosed