SCHEMBL31399705

SCHEMBL31399705

O=c1[nH]ccc2c([N+](=O)[O-])cc(F)cc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TYMS P04818 1/20 0.40
TDP1 Q9NUW8 3/20 0.40
ATM Q13315 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
BLM P54132 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
GRIN1 Q05586 1/20 0.37

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
SCHEMBL15814726 0.81 ALDH1A1 (0.59) ALDH1A1TDP1SIRT2LMNACYP1A2
SCHEMBL20915014 0.80 ALDH1A1 (0.42) ALDH1A1TYMSTDP1ATMSIRT2
SCHEMBL6538005 0.76 CCR8 (0.43) ALDH1A1TYMSTDP1ATMSIRT2
SCHEMBL307488 0.75 ALDH1A1 (1.00) ALDH1A1TDP1LMNACYP1A2CYP3A4
SCHEMBL30098446 0.75 ALDH1A1 (1.00) ALDH1A1TDP1LMNACYP1A2CYP3A4
SCHEMBL17801460 0.73 ALDH1A1 (0.50) ALDH1A1TYMSTDP1ATMLMNA
SCHEMBL24898800 0.73 JAK2 (0.43) ALDH1A1TDP1SIRT2LMNACYP1A2
SCHEMBL23705882 0.73 PARP1 (0.55) ALDH1A1TDP1LMNACYP1A2CYP3A4
SCHEMBL30097051 0.73 PARP1 (0.55) ALDH1A1TDP1LMNACYP1A2CYP3A4
SCHEMBL22120275 0.72 ALDH1A1 (0.61) ALDH1A1TDP1LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 WO disclosed