SCHEMBL5215933

SCHEMBL5215933

O=C(NCNC(=O)c1cccnc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
NAMPT P43490 1/20 0.66
MAPT P10636 5/20 0.57
RXFP1 Q9HBX9 1/20 0.57
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.53
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
HTT P42858 1/20 0.52
POLB P06746 2/20 0.52
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51

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
SCHEMBL11551985 0.85 ALDH1A1 (0.80) ALDH1A1NAMPTMAPTCYP11B1CYP11B2
SCHEMBL25277062 0.85 ALDH1A1 (0.79) ALDH1A1NAMPTMAPTCYP11B1CYP11B2
SCHEMBL5218284 0.84 KCNK3 (0.58) ALDH1A1NAMPTMEN1KMT2ASMN1; SMN2
SCHEMBL5215208 0.83 RAB9A (0.60) ALDH1A1NAMPTMAPTMEN1KMT2A
SCHEMBL146250 0.80 NAMPT (1.00) NAMPTMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11844425 0.80 NAMPT (1.00) NAMPTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL29374071 0.80 NAMPT (1.00) NAMPTMAPTMEN1KMT2ASMN1; SMN2
Bromide SCHEMBL11621172 0.79 NAMPT (0.98) NAMPTMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11838523 0.79 NAMPT (0.98) NAMPTMAPTMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11847957 0.79 NAMPT (0.98) NAMPTMAPTMEN1KMT2ASMN1; SMN2

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-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP claimed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed