SCHEMBL30768324

SCHEMBL30768324

COc1c(F)ccc(CCl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.43
GRIN3B O60391 4/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
GRIN2B Q13224 4/20 0.43
GRIN2C Q14957 4/20 0.43
GRIN3A Q8TCU5 4/20 0.43
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 5/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 2/20 0.35
MEP1B Q16820 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 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
SCHEMBL11748681 0.83 KDM4E (0.44) TRPV1ALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL31574688 0.76 MEP1B (0.39) ALDH1A1MAPTMEP1BSMN1; SMN2KDM4E
SCHEMBL26908246 0.76 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2033115 0.75 ALDH1A1 (0.45) ALDH1A1TSHRMEP1BSMN1; SMN2TDP1
SCHEMBL9769165 0.75 ALDH1A1 (0.43) ALDH1A1TSHRMAPTTDP1POLB
SCHEMBL8471671 0.74 MEP1B (0.48) ALDH1A1MAPTMEP1B
SCHEMBL8432682 0.72 ALDH1A1 (0.49) ALDH1A1TSHRMAPTSMN1; SMN2PKM
SCHEMBL30735954 0.72 PKM (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20560654 0.71 ALDH1A1 (0.52) ALDH1A1TSHRMAPTTDP1POLB
SCHEMBL24639446 0.70 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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