SCHEMBL7130981

SCHEMBL7130981

Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
POLB P06746 2/20 0.62
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
HPGD P15428 1/20 0.62
HTT P42858 2/20 0.60
RORC P51449 8/20 0.60
SMN1; SMN2 Q16637 5/20 0.58
CYP3A4 P08684 2/20 0.58
MAPK1 P28482 2/20 0.58
PPARG P37231 2/20 0.58
ALOX15 P16050 1/20 0.58
PPARA Q07869 1/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
GAA P10253 2/20 0.58
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57

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
SCHEMBL31665465 0.88 MAPT (0.56) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL7120462 0.84 TASP1 (0.54) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL7162058 0.82 DYRK1A (0.64) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL7129461 0.82 DYRK1A (0.70) MAPTPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL7128930 0.82 RORC (0.59) MAPTPOLBHTTRORCSMN1; SMN2
SCHEMBL7128392 0.82 SMN1; SMN2 (0.65) MAPTPOLBALDH1A1HPGDHTT
SCHEMBL5731624 0.81 MAPT (0.69) MAPTKDM4EALDH1A1HTTRORC
SCHEMBL27571318 0.80 RORC (0.47) MAPTPOLBKDM4EALDH1A1HPGD
SCHEMBL7127487 0.80 MMP13 (0.74) MAPTPOLBALDH1A1HTTSMN1; SMN2
SCHEMBL7121680 0.80 KMT2A (0.61) MAPTPOLBKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 EP disclosed