SCHEMBL7474440

SCHEMBL7474440

Cc1cc(N2CCNCC2)c2cc([N+](=O)[O-])ccc2n1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.61
ADRB2 P07550 1/20 0.61
ADRB1 P08588 1/20 0.61
ALDH1A1 P00352 2/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
SLC6A4 P31645 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
LMNA P02545 1/20 0.51
PMP22 Q01453 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL6603576 0.89 NCF1 (0.53) NCF1NPSR1MAPTSMN1; SMN2
SCHEMBL6605546 0.89 NCF1 (0.57) NCF1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7480479 0.80 NCF1 (0.62) NCF1ADRB2ALDH1A1HTR3EHTR3B
SCHEMBL3949621 0.78 NCF1 (0.68) NCF1ADRB2ADRB1
SCHEMBL7471109 0.78 MAPT (0.59) NCF1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL3646902 0.77 MAPT (0.47) NPSR1MAPTSMN1; SMN2
SCHEMBL5205570 0.76 ADRB1 (0.58) ADRB1ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL30984739 0.76 ADRB1 (0.58) ADRB1ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL899675 0.76 NCF1 (1.00) NCF1ADRB2ADRB1ALDH1A1LMNA
SCHEMBL30058969 0.76 NCF1 (1.00) NCF1ADRB2ADRB1ALDH1A1LMNA

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