SCHEMBL29867167

SCHEMBL29867167

Cc1c(F)cc(B2OC(C)(C)C(C)(C)O2)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HIF1A Q16665 2/20 0.39
LPL P06858 2/20 0.37
LIPG Q9Y5X9 2/20 0.37
ESPL1 Q14674 1/20 0.37
CYP1A2 P05177 3/20 0.35
GPR35 Q9HC97 2/20 0.34
ROCK1 Q13464 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 2/20 0.33
CCR6 P51684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TTR P02766 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL27087930 1.00 ALDH1A1 (0.39) ALDH1A1HIF1ALPLLIPGESPL1
SCHEMBL23830122 0.87 ALDH1A1 (0.40) ALDH1A1HIF1ALPLLIPGESPL1
SCHEMBL59736 0.81 ATM (0.49) ALDH1A1HIF1ALPLLIPGESPL1
SCHEMBL2489484 0.81 ALDH1A1 (0.56) ALDH1A1HIF1ALPLLIPGESPL1
SCHEMBL26153570 0.81 LPL (0.48) LPLLIPGROCK1CA1CA2
SCHEMBL18681344 0.78 LPL (0.36) ALDH1A1HIF1ALPLLIPGESPL1
SCHEMBL30140094 0.78 LPL (0.36) ALDH1A1HIF1ALPLLIPGESPL1
SCHEMBL15440424 0.77 KMT2A (0.44) ALDH1A1HIF1ACYP1A2GPR35TDP1
SCHEMBL15979556 0.77 ALDH1A1 (0.36) ALDH1A1HIF1ALPLLIPGESPL1
SCHEMBL156963 0.77 ALDH1A1 (0.41) ALDH1A1CYP1A2GPR35TDP1MAPT

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-4320103-A1 PYRIMIDINE BASED RAS MODULATORS AND USES THEREOF Quanta Therapeutics, Inc. (US) 2024-02-14 EP disclosed
WO-2022217118-A1 PYRIMIDINE BASED RAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2022-10-13 WO disclosed