SCHEMBL6687306

SCHEMBL6687306

C[CH]c1cc2c(cc1[N+](=O)[O-])COO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.35
ALDH1A1 P00352 8/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 5/20 0.34
POLB P06746 4/20 0.34
MEN1 O00255 4/20 0.34
THRB P10828 1/20 0.34
ALOX12 P18054 1/20 0.34
BLM P54132 1/20 0.34
ALOX15 P16050 1/20 0.33
PRKDC P78527 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGS2 P35354 1/20 0.33
BCHE P06276 1/20 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
SCHEMBL11693815 0.80 MAPT (0.44) MAPTALDH1A1KDM4EGAACYP3A4
SCHEMBL126109 0.74 MAPT (0.57) MAPTALDH1A1KDM4EGAACYP3A4
SCHEMBL11696288 0.73 MAPT (0.47) MAPTALDH1A1KDM4EGAACYP3A4
SCHEMBL11695656 0.73 MAPT (0.32) MAPTALDH1A1KDM4EGAACYP3A4
SCHEMBL11697951 0.70 MAPT (0.44) MAPTALDH1A1CYP3A4CYP1A2CYP2C9
SCHEMBL11691065 0.70 DTYMK (0.42) MAPTALDH1A1CYP3A4KMT2APOLB
SCHEMBL11857762 0.70 NOS3 (0.38) MAPTALDH1A1KDM4ECYP3A4CYP1A2
SCHEMBL11697167 0.70 MAPT (0.44) MAPTALDH1A1GAAKMT2APOLB
SCHEMBL4527628 0.67 ALDH1A1 (0.40) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL11697414 0.66 ALDH1A1 (0.46) MAPTALDH1A1KDM4EGAAKMT2A

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-6824974-B2 Electronic detection of biological molecules using thin layers GENORX, INC. 2004-11-30 US disclosed