SCHEMBL30453750

SCHEMBL30453750

CC(C)Oc1ccc([N+](=O)[O-])c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.43
PDK1 Q15118 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 4/20 0.41
HTR2A P28223 1/20 0.41
LMNA P02545 1/20 0.40
HIF1A Q16665 1/20 0.40
RAPGEF3 O95398 1/20 0.39
PTGDR Q13258 2/20 0.39
PARP10 Q53GL7 1/20 0.39
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 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
SCHEMBL4636157 1.00 ATM (0.53) ATMTDP1KMT2AMAPTMEN1
SCHEMBL29739485 0.87 ALDH1A1 (0.51) ATMTDP1KMT2AMAPTMEN1
SCHEMBL692339 0.85 ATM (0.55) ATMTDP1KMT2AMAPTMEN1
SCHEMBL30977610 0.85 ATM (0.55) ATMTDP1KMT2AMAPTMEN1
SCHEMBL9940716 0.84 ALDH1A1 (0.51) KMT2AMAPTMEN1RAB9AHTT
SCHEMBL27363244 0.83 ATM (0.46) ATMTDP1KMT2AMAPTMEN1
SCHEMBL7549531 0.83 TDP1 (0.49) ATMTDP1KMT2AMAPTMEN1
SCHEMBL17673213 0.82 ATM (0.45) ATMTDP1KMT2AMEN1RAB9A
SCHEMBL27357985 0.82 ATM (0.51) ATMTDP1KMT2AMAPTMEN1
SCHEMBL6584963 0.81 TSHR (0.51) KMT2AMAPTMEN1RAB9AHTT

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-2023122778-A1 PYRIDAZINONE DERIVATIVES USEFUL AS T CELL ACTIVATORS GOSSAMER BIO SERVICES, INC. (US) 2023-06-29 WO disclosed