SCHEMBL31455558

SCHEMBL31455558

NCc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ATM Q13315 1/20 0.58
LOXL2 Q9Y4K0 2/20 0.50
ALDH1A1 P00352 1/20 0.43
HIF1A Q16665 1/20 0.43
VCAM1 P19320 1/20 0.41
HTR6 P50406 1/20 0.40
TSHR P16473 2/20 0.40
PTGES O14684 1/20 0.40
KAT2B Q92831 2/20 0.39
CA9 Q16790 2/20 0.39
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CYP3A4 P08684 1/20 0.37
LMNA P02545 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
SCHEMBL23413210 0.87 TDP1 (0.56) TDP1ATMLOXL2ALDH1A1HIF1A
SCHEMBL29780553 0.87 TDP1 (0.56) TDP1ATMLOXL2ALDH1A1HIF1A
SCHEMBL7615803 0.85 ALDH1A1 (0.56) TDP1ATMLOXL2ALDH1A1HIF1A
Hydrochloric Acid SCHEMBL1725340 0.84 ALDH1A1 (0.55) TDP1ATMLOXL2ALDH1A1HIF1A
SCHEMBL146624 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL571701 0.81 ATM (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29490181 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL11439528 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL76729 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL12208065 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1

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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed