SCHEMBL9068398

SCHEMBL9068398

NC(=O)Cc1cc2c(cc1[N+](=O)[O-])C(=O)OC2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.51
MAOB P27338 3/20 0.51
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.38
MCL1 Q07820 1/20 0.38
CYP1A2 P05177 3/20 0.38
SNCA P37840 1/20 0.37
PDGFRB P09619 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT1 P17948 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
STAT6 P42226 1/20 0.35

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
SCHEMBL5050962 0.80 CYP1A2 (0.63) MAOAMAOBALDH1A1MAPTCYP1A2
SCHEMBL772686 0.76 ALDH1A1 (0.59) MAOAMAOBALDH1A1MAPTMCL1
SCHEMBL29580615 0.74 PDGFRB (0.51) MAOAMAOBALDH1A1MAPTCYP1A2
SCHEMBL28468281 0.74 SIGMAR1 (0.45) ALDH1A1CYP1A2SNCAPDGFRBFGFR1
SCHEMBL2253975 0.74 CYP1A2 (0.41) MAOAMAOBALDH1A1MAPTCYP1A2
SCHEMBL3894477 0.74 MAPT (0.57) ALDH1A1MAPTMCL1CYP1A2CYP3A4
SCHEMBL8386297 0.72 ALDH1A1 (0.39) MAOAMAOBALDH1A1MAPTMCL1
SCHEMBL21291914 0.72 ALDH1A1 (0.50) ALDH1A1MAPTMCL1CYP1A2SNCA
SCHEMBL11241510 0.71 DTYMK (0.46) MAOAMAOBALDH1A1MAPTMCL1
SCHEMBL31601810 0.71 AR (0.41) ALDH1A1CYP1A2SNCAPDGFRBFGFR1

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-5874590-A Diaminofluorescein derivative Nagano, Tetsuo (JP) 1999-02-23 US disclosed