SCHEMBL29938725

SCHEMBL29938725

COc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
TTR P02766 1/20 0.67
PPOX P50336 1/20 0.67
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FFAR1 O14842 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
ESRRA P11474 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 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
SCHEMBL11247283 1.00 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11049633 0.92 TDP1 (0.69) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11168713 0.89 TDP1 (0.68) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8694365 0.89 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL31009450 0.86 MEN1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10706908 0.86 TDP1 (0.74) TDP1MEN1KMT2ATTRPPOX
SCHEMBL24749507 0.86 ALDH1A1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10348047 0.85 TDP1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10594849 0.85 MEN1 (0.70) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10540835 0.85 TDP1 (0.73) TDP1MEN1KMT2ATTRPPOX

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-4323338-A1 TEAD INHIBITORS Orion Corporation (FI) 2024-02-21 EP disclosed
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