SCHEMBL31331689

SCHEMBL31331689

COc1ccc(C(=O)c2ccccc2[N+](=O)[O-])cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.63
▸ ALDH1A1 P00352 7/20 0.62
▸ MAPT P10636 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ CYP3A4 P08684 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ KMT2A Q03164 1/20 0.55
▸ LMNA P02545 2/20 0.55
▸ HPSE Q9Y251 1/20 0.53
▸ ABCB1 P08183 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.51
▸ TUBB4A P04350 1/20 0.50
▸ TUBB P07437 1/20 0.50
▸ TUBA3C P0DPH7 1/20 0.50
▸ TUBA1B P68363 1/20 0.50
▸ TUBA4A P68366 1/20 0.50

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
SCHEMBL8017650 0.86 LMNA (0.61) HTTALDH1A1MAPTGAACYP3A4
SCHEMBL30639036 0.82 CYP3A4 (0.69) HTTALDH1A1MAPTGAACYP3A4
SCHEMBL4825935 0.82 CYP3A4 (0.69) HTTALDH1A1MAPTGAACYP3A4
SCHEMBL4818648 0.82 CYP3A4 (0.69) ALDH1A1MAPTGAACYP3A4TSHR
SCHEMBL8088214 0.81 SMN1; SMN2 (0.71) HTTALDH1A1MAPTGAAKMT2A
SCHEMBL31406949 0.81 HTT (0.56) HTTALDH1A1MAPTGAALMNA
SCHEMBL11576360 0.81 CYP1A2 (0.70) HTTALDH1A1MAPTGAACYP3A4
SCHEMBL8728320 0.79 CYP3A4 (0.63) ALDH1A1MAPTGAACYP3A4TSHR
SCHEMBL31527683 0.78 LMNA (0.67) HTTALDH1A1MAPTGAACYP3A4
SCHEMBL1443872 0.78 LMNA (0.67) HTTALDH1A1MAPTGAACYP3A4

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-119264077-A Telomerase inhibitor and application thereof 安徽中医药大学 2025-01-07 — — CN disclosed
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