SCHEMBL34474101

SCHEMBL34474101

Cc1cc2c(cc1[N+](=O)[O-])COC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ TSHR P16473 5/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ GAA P10253 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GPR35 Q9HC97 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL26114837 0.88 ALDH1A1 (0.40) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL3823148 0.82 TSHR (0.44) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL34474715 0.78 PDK1 (0.39) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL31278966 0.77 TSHR (0.46) ALDH1A1TSHRCYP3A4MAPTGPR35
SCHEMBL34474086 0.77 MAPT (0.51) ALDH1A1CYP3A4MAPTCYP1A2
SCHEMBL34473826 0.77 ATM (0.46) ALDH1A1CYP3A4MAPTCYP1A2CYP2C9
SCHEMBL22271646 0.77 TSHR (0.46) ALDH1A1TSHRCYP3A4MAPTGPR35
SCHEMBL22271535 0.77 ATM (0.46) ALDH1A1CYP3A4MAPTCYP1A2CYP2C9
SCHEMBL8053279 0.76 TSHR (0.58) ALDH1A1TSHRCYP3A4RECQLMAPT
SCHEMBL34473296 0.74 ALDH1A1 (0.49) ALDH1A1CYP3A4MAPTKDM4EHSD17B10

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
WO-2026085629-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2026-04-30 — — WO disclosed
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