SCHEMBL31481310

SCHEMBL31481310

O=[N+]([O-])c1cc(O)nc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ CYP1A2 P05177 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GALR3 O60755 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TTR P02766 1/20 0.38

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
SCHEMBL18299386 0.79 CYP1A2 (0.46) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL31481313 0.72 MAPT (0.51) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL31481300 0.71 MEN1 (0.40) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL2567845 0.70 MEN1 (0.42) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL3714506 0.69 LOXL2 (0.44) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL1872522 0.69 ALDH1A1 (0.44) MEN1KMT2ANPC1RAB9APAX8
SCHEMBL24233010 0.69 CES2 (0.41) KMT2ACYP3A4CYP2C19LMNAKDM4E
SCHEMBL31481281 0.68 ALDH1A1 (0.44) GAACYP3A4CYP2C19HTTLMNA
SCHEMBL29112171 0.67 HSP90AA1 (0.44) KMT2ARAB9AGAACYP3A4CYP2C19
SCHEMBL8743905 0.67 GPR35 (0.41) MEN1KMT2ANPC1RAB9APAX8

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
CN-119742448-A High-voltage additive for lithium battery electrolyte, electrolyte and lithium ion battery 中国科学院宁波材料技术与工程研究所 2025-04-01 — — CN disclosed
Send feedback