SCHEMBL30947784

SCHEMBL30947784

CNc1c(OC)cc(C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 3/20 0.44
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 2/20 0.43
PARP1 P09874 1/20 0.43
APOBEC3A P31941 1/20 0.43
HTT P42858 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TTR P02766 1/20 0.42

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
SCHEMBL29240413 1.00 MAPT (0.47) MAPTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL29577441 0.87 VCAM1 (0.48) MAPTALDH1A1POLBTDP1TSHR
SCHEMBL15552087 0.87 TPMT (0.55) MAPTALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL29847250 0.87 TPMT (0.55) MAPTALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL16841183 0.87 LMNA (0.47) MAPTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL15551607 0.87 VCAM1 (0.48) MAPTALDH1A1POLBTDP1TSHR
SCHEMBL21295074 0.86 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL29847044 0.86 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL19437401 0.83 MAPT (0.51) MAPTALDH1A1SMN1; SMN2TDP1HTT
SCHEMBL7373096 0.82 TSHR (0.59) MAPTALDH1A1SMN1; SMN2POLBTDP1

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-118265545-A Asymmetric bisbenzimidazole STING agonist immunoconjugates and uses thereof 博尔特生物治疗药物有限公司 2024-06-28 CN disclosed