SCHEMBL27468545

SCHEMBL27468545

CCCCc1n[nH]c(C(N)=O)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
XDH P47989 4/20 0.34
HCAR2 Q8TDS4 3/20 0.33
HCAR3 P49019 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32

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
SCHEMBL1070 0.91 SMN1; SMN2 (0.52) SMN1; SMN2HCAR2ALDH1A1MAPTCASP7
Methane SCHEMBL28911261 0.91 SMN1; SMN2 (0.52) SMN1; SMN2HCAR2ALDH1A1MAPTCASP7
SCHEMBL27468546 0.87 HCAR2 (0.40) SMN1; SMN2HCAR2HCAR3ALDH1A1MAPT
SCHEMBL1527741 0.85 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL902 0.78 SMN1; SMN2 (0.43) SMN1; SMN2HCAR2HCAR3ALDH1A1MAPT
SCHEMBL4744537 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL6365547 0.74 HCAR2 (0.48) SMN1; SMN2HCAR2HCAR3ALDH1A1MAPT
SCHEMBL27596057 0.74 KDM4C (0.43) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL3830795 0.74 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTCASP7CASP6
SCHEMBL4038271 0.73 MAPT (0.38) SMN1; SMN2ALDH1A1MAPTCASP7CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1229349-C Pyridine-3-carboxylic acid derivative PFIZER (US) 2005-11-30 CN disclosed
CN-1495169-A Pyridine-3-carboxylic acid derivative 2004-05-12 CN disclosed
CN-1134442-C Pyrazolopyrimidinone cGMP PDE5 inhibitor, preparation method and application thereof and intermediate �������۸��¼��������������ι�˾ 2004-01-14 CN disclosed
CN-1305478-A Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER (US) 2001-07-25 CN disclosed