SCHEMBL29952992

SCHEMBL29952992

O=Cc1cccc(F)c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.50
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
MAPT P10636 3/20 0.39
NTSR1 P30989 1/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.36
GPR35 Q9HC97 1/20 0.36
NFE2L2 Q16236 1/20 0.35

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
SCHEMBL103025 1.00 ERN1 (0.50) ERN1ALDH1A1TDP1MEN1KMT2A
SCHEMBL9417632 0.86 ERN1 (0.57) ERN1ALDH1A1TDP1MEN1KMT2A
SCHEMBL214270 0.83 ALDH1A1 (0.44) ERN1ALDH1A1TDP1MEN1KMT2A
SCHEMBL16952733 0.83 ALDH1A1 (0.39) ERN1ALDH1A1TDP1MEN1KMT2A
SCHEMBL16950618 0.83 MEN1 (0.45) ERN1ALDH1A1TDP1MEN1KMT2A
SCHEMBL31023003 0.83 ALDH1A1 (0.39) ERN1ALDH1A1TDP1MEN1KMT2A
SCHEMBL240574 0.81 TDP1 (0.52) ALDH1A1TDP1LMNAMAPTNPC1
SCHEMBL2841960 0.78 ERN1 (0.50) ERN1ALDH1A1TDP1MEN1KMT2A
SCHEMBL196088 0.78 ERN1 (0.65) ERN1ALDH1A1TDP1MEN1KMT2A
SCHEMBL27985682 0.78 ERN1 (0.50) ERN1ALDH1A1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387951-A1 PALLADIUM FREE PROCESSES FOR PREPARATION OF ACRYLATE COMPOUNDS Amgen Inc. (US) 2024-06-26 EP disclosed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 WO disclosed
WO-2023023201-A1 PALLADIUM FREE PROCESSES FOR PREPARATION OF ACRYLATE COMPOUNDS AMGEN INC. (US) 2023-02-23 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed