SCHEMBL10189290

SCHEMBL10189290

Cc1ccc(N=O)c(NN)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.40
HPGD P15428 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 3/20 0.34
CYP1A2 P05177 3/20 0.34
HTT P42858 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 4/20 0.33
CYP3A4 P08684 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33

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
SCHEMBL10284425 0.81 GAA (0.41) GAAHPGDRAPGEF4ALDH1A1CYP1A2
SCHEMBL14001504 0.78 IDO1 (0.37) GAAALDH1A1KDM4EHTTMAPT
Hydrochloric Acid SCHEMBL28168851 0.76 IDO1 (0.36) GAAALDH1A1KDM4EHTTMAPT
SCHEMBL11855115 0.75 NPC1 (0.42) GAAHPGDALDH1A1KDM4ECYP1A2
SCHEMBL183133 0.74 CYP3A4 (0.52) GAAALDH1A1KDM4ECYP1A2MAPT
SCHEMBL838148 0.73 RAPGEF4 (0.54) GAARAPGEF4ALDH1A1KDM4ECYP1A2
SCHEMBL30951588 0.73 RAPGEF4 (0.54) GAARAPGEF4ALDH1A1KDM4ECYP1A2
SCHEMBL12589735 0.73 RAB9A (0.50) GAAHPGDRAPGEF4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL31082291 0.71 RAPGEF4 (0.52) GAARAPGEF4ALDH1A1KDM4ECYP1A2
Hydrochloric Acid SCHEMBL839579 0.71 RAPGEF4 (0.52) GAARAPGEF4ALDH1A1KDM4ECYP1A2

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
US-8193168-B2 Use of a TRPM5 inhibitor to regulate insulin and GLP-1 release REDPOINT BIO CORPORATION (US) 2012-06-05 US disclosed