SCHEMBL31065893

SCHEMBL31065893

Cc1c([N+](=O)[O-])cc(F)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
TDP1 Q9NUW8 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 5/20 0.42
HIF1A Q16665 1/20 0.42
CCR6 P51684 1/20 0.42
TSHR P16473 5/20 0.41
CYP3A4 P08684 2/20 0.41
GPR35 Q9HC97 1/20 0.41
VCAM1 P19320 1/20 0.40
ESPL1 Q14674 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 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
SCHEMBL31065888 1.00 CYP1A2 (0.46) CYP1A2TDP1ATMALDH1A1HIF1A
SCHEMBL27275986 0.88 CYP1A2 (0.46) CYP1A2TDP1ATMALDH1A1HIF1A
SCHEMBL1505782 0.85 TDP1 (0.45) CYP1A2TDP1ATMALDH1A1HIF1A
SCHEMBL32659684 0.84 ALDH1A1 (0.46) CYP1A2TDP1ATMALDH1A1HIF1A
SCHEMBL8112068 0.83 TDP1 (0.44) CYP1A2TDP1ATMALDH1A1HIF1A
SCHEMBL18175845 0.83 CYP1A2 (0.55) CYP1A2TDP1ATMALDH1A1HIF1A
SCHEMBL29237455 0.82 TDP1 (0.46) CYP1A2TDP1ATMALDH1A1HIF1A
SCHEMBL30217347 0.82 CYP1A2 (0.59) CYP1A2TDP1ATMALDH1A1HIF1A
SCHEMBL30217284 0.82 TDP1 (0.46) CYP1A2TDP1ATMALDH1A1HIF1A
SCHEMBL27264780 0.82 CYP1A2 (0.59) CYP1A2TDP1ATMALDH1A1HIF1A

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-4673139-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
WO-2024182742-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 WO disclosed