SCHEMBL29149356

SCHEMBL29149356

COc1c(F)cc(CCl)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 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
SCHEMBL31009343 1.00 TPMT (0.40) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5210174 0.88 TPMT (0.43) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31172071 0.84 SMN1; SMN2 (0.40) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4182654 0.84 SMN1; SMN2 (0.40) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13981896 0.84 TPMT (0.40) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL15561620 0.82 ALDH1A1 (0.38) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4198069 0.80 GRM8 (0.40) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4198067 0.80 GRM8 (0.40) TPMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24088153 0.79 DBH (0.44) ALDH1A1TUBB1KDM4EMAPTHTT
SCHEMBL6370869 0.78 TPMT (0.45) TPMTGRIN2DGRIN3BGRIN1GRIN2A

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-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed