SCHEMBL24749809

SCHEMBL24749809

COc1ccc([N+](=O)[O-])cc1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
CETP P11597 1/20 0.46
MAPT P10636 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 4/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 1/20 0.45
APOBEC3A P31941 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
TTR P02766 1/20 0.44
KCNJ1 P48048 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL5132080 0.86 CYP19A1 (0.49) TDP1CETPMAPTKMT2AMEN1
SCHEMBL6592281 0.84 MMP1 (0.42) POLBCETPMAPTKMT2AMEN1
SCHEMBL6592271 0.84 MMP1 (0.42) POLBCETPMAPTKMT2AMEN1
SCHEMBL8964829 0.82 TDP1 (0.62) TDP1POLBMAPTKMT2AMEN1
SCHEMBL29151256 0.81 MAPT (0.57) TDP1MAPTKMT2AMEN1ALDH1A1
SCHEMBL29938120 0.79 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL24749554 0.79 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HTTLMNA
SCHEMBL3889845 0.77 SLC6A4 (0.52) TDP1POLBMAPTKMT2AMEN1
SCHEMBL24750221 0.77 GAA (0.46) CETPMAPTHTTGAA
SCHEMBL31009437 0.76 HSPB1 (0.50) TDP1POLBMAPTKMT2AMEN1

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
CN-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed
WO-2022219246-A1 TEAD INHIBITORS ORION CORPORATION (FI) 2022-10-20 WO disclosed