SCHEMBL29474148

SCHEMBL29474148

COc1c(F)cc([N+](=O)[O-])c(C)c1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
TDP1 Q9NUW8 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
MAPT P10636 5/20 0.39
TPMT P51580 1/20 0.38
IMPDH2 P12268 1/20 0.38
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL30079683 0.87 CYP1A2 (0.45) CYP1A2TDP1ALDH1A1TSHRGRIN2D
SCHEMBL24823673 0.87 CYP1A2 (0.45) CYP1A2TDP1ALDH1A1TSHRGRIN2D
SCHEMBL30699658 0.85 GRIN2D (0.41) CYP1A2TDP1ALDH1A1TSHRGRIN2D
SCHEMBL700219 0.83 CYP1A2 (0.56) CYP1A2TDP1ALDH1A1TSHRGRIN2D
SCHEMBL29369262 0.83 CYP1A2 (0.56) CYP1A2TDP1ALDH1A1TSHRGRIN2D
SCHEMBL29478827 0.81 CYP1A2 (0.67) CYP1A2TDP1ALDH1A1TSHRGRIN2D
SCHEMBL27096286 0.81 CYP1A2 (0.67) CYP1A2TDP1ALDH1A1TSHRGRIN2D
SCHEMBL29156239 0.81 CYP1A2 (0.53) CYP1A2TDP1ALDH1A1TSHRGRIN2D
SCHEMBL17525992 0.81 MAPT (0.45) CYP1A2TDP1ALDH1A1TSHRGRIN2D
SCHEMBL30217347 0.80 CYP1A2 (0.59) CYP1A2TDP1ALDH1A1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217358-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS OF USING SAME 1st Biotherapeutics, Inc. (KR) 2023-08-02 EP disclosed
WO-2022064459-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS OF USING SAME 1ST Biotherapeutics, Inc. (KR) 2022-03-31 WO disclosed
WO-2022064458-A1 INDAZOLES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) INHIBITORS AND METHODS OF USING SAME 1ST Biotherapeutics, Inc. (KR) 2022-03-31 WO disclosed