SCHEMBL31403638

SCHEMBL31403638

Cc1c([N+](=O)[O-])cnc2[nH]cc(F)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 2/20 0.35
PIN1 Q13526 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
DAO P14920 1/20 0.34
MET P08581 1/20 0.34
CASP6 P55212 1/20 0.33
PIM3 Q86V86 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 3/20 0.32
ATM Q13315 1/20 0.32
TSHR P16473 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
HCRTR1 O43613 1/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 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
SCHEMBL31403667 0.83 PIN1 (0.37) KDM4ESMN1; SMN2MAPTPIN1TDP1
SCHEMBL15155185 0.77 KDM4E (0.35) KDM4ESMN1; SMN2MAPTTDP1DAO
SCHEMBL1468754 0.76 MET (0.35) KDM4ESMN1; SMN2MAPTPIN1TDP1
SCHEMBL17920787 0.74 CYP1A2 (0.36) KDM4ESMN1; SMN2MAPTTDP1MET
SCHEMBL1468836 0.71 MAPT (0.35) SMN1; SMN2MAPTMETRAB9AALDH1A1
SCHEMBL1467726 0.71 ALDH1A1 (0.33) KDM4ESMN1; SMN2MAPTPIN1TDP1
SCHEMBL15155089 0.71 ALDH1A1 (0.37) KDM4ESMN1; SMN2MAPTPIN1TDP1
SCHEMBL17495401 0.70 PRKCI (0.46) SMN1; SMN2MAPTTDP1MEN1KMT2A
SCHEMBL30213789 0.70 PRKCI (0.46) SMN1; SMN2MAPTTDP1MEN1KMT2A
SCHEMBL3723388 0.70 MET (0.43) KDM4EMAPTTDP1METCASP6

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
WO-2025076284-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME DELPHIA THERAPEUTICS, INC. (US) 2025-04-10 WO disclosed