SCHEMBL30526693

SCHEMBL30526693

COc1ccc([N+](=O)[O-])cc1B1OCC(C)(C)CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 3/20 0.47
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP19A1 P11511 1/20 0.42
PTGS2 P35354 1/20 0.42
POLB P06746 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL2723790 1.00 TDP1 (0.49) TDP1LMNASMN1; SMN2HTTCYP3A4
SCHEMBL3114727 0.89 HTT (0.50) TDP1LMNASMN1; SMN2HTTCYP3A4
SCHEMBL20303461 0.82 TDP1 (0.53) TDP1LMNASMN1; SMN2HTTCYP3A4
SCHEMBL15304198 0.79 ACHE (0.43) TDP1LMNASMN1; SMN2CYP3A4CYP2C9
SCHEMBL613715 0.78 CYP3A4 (0.47) TDP1LMNAHTTCYP3A4MEN1
SCHEMBL5892425 0.77 ALDH1A1 (0.39) TDP1LMNACYP3A4CYP2C19MEN1
SCHEMBL13639298 0.77 SNCA (0.33) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL17940744 0.73 CA1 (0.40) TDP1HTTMAPTALDH1A1CA12
SCHEMBL20312474 0.73 HSD17B10 (0.42) TDP1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL13043980 0.71 TSHR (0.47) TDP1LMNASMN1; SMN2HTTMEN1

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
EP-4463456-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BeiGene, Ltd. (KY) 2024-11-20 EP disclosed
WO-2023134708-A1 THIAZOLOPYRIDYL AMIDE DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS BEIGENE , LTD. (KY) 2023-07-20 WO disclosed