SCHEMBL3830795

SCHEMBL3830795

CCCc1n[nH]c(C(=O)NCC)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
MAPT P10636 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.34
GPX4 P36969 1/20 0.34
PARP1 P09874 1/20 0.34
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CASP7 P55210 1/20 0.33
CASP6 P55212 1/20 0.33
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL4744537 0.89 SMN1; SMN2 (0.41) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL6632512 0.85 SMN1; SMN2 (0.39) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL902 0.84 SMN1; SMN2 (0.43) SMN1; SMN2MAPTGAANPC1ALDH1A1
SCHEMBL27596057 0.83 KDM4C (0.43) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL1070 0.82 SMN1; SMN2 (0.52) SMN1; SMN2MAPTGAAALDH1A1CASP7
Methane SCHEMBL28911261 0.82 SMN1; SMN2 (0.52) SMN1; SMN2MAPTGAAALDH1A1CASP7
SCHEMBL11327068 0.82 HTT (0.39) SMN1; SMN2MAPTMEN1KMT2AHTT
SCHEMBL6446674 0.81 CYP1A2 (0.52) SMN1; SMN2MEN1KMT2ANPC1LMNA
SCHEMBL8187253 0.78 MAPT (0.39) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL3827995 0.76 GLA (0.37) SMN1; SMN2MAPTPARP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1793828-A4 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY REDDYS LAB LTD DR (IN) 2009-09-02 EP disclosed
EP-1793828-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY Dr. Reddy's Laboratories Ltd. (IN) 2007-06-13 EP disclosed
WO-2006029075-A2 FIBRATE COMPOUNDS HAVING PPAR AGONIST ACTIVITY DR. REDDY'S LABORATORIES LTD. (IN) 2006-03-16 WO disclosed