SCHEMBL30440428

SCHEMBL30440428

Cc1ccc([N+](=O)[O-])c(C(=O)Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.44
GPR35 Q9HC97 1/20 0.44
KCNMA1 Q12791 2/20 0.44
DTYMK P23919 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
SCHEMBL491747 1.00 TSHR (0.58) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL8494822 0.86 TSHR (0.58) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL28395903 0.85 TSHR (0.62) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL1277039 0.84 TSHR (0.60) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL149316 0.84 DTYMK (0.62) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL29935450 0.84 DTYMK (0.62) TSHRCYP3A4MAPTALDH1A1POLB
Hydrochloric Acid SCHEMBL3730916 0.82 DTYMK (0.60) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL11048087 0.82 DTYMK (0.60) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL8446508 0.82 TSHR (0.58) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL688229 0.82 TSHR (0.58) TSHRCYP3A4MAPTALDH1A1POLB

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
WO-2023180237-A1 METHOD AND COMPOUND ATDBio Limited (GB) 2023-09-28 WO disclosed
WO-2023099471-A1 METHOD FOR PRODUCING POLYNUCLEOTIDES ATDBio Limited (GB) 2023-06-08 WO disclosed