SCHEMBL8199190

SCHEMBL8199190

[CH2]c1ccc([N+](=O)[O-])c(CCl)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPK1 P28482 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TDP1 Q9NUW8 3/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ SNCA P37840 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ CASP6 P55212 1/20 0.34
▸ DTYMK P23919 1/20 0.34
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL6902179 0.83 TSHR (0.42) TSHRALDH1A1MAPK1KMT2AMEN1
SCHEMBL9192755 0.79 TSHR (0.58) TSHRALDH1A1MAPK1TDP1CYP3A4
SCHEMBL67864 0.79 MAPK1 (0.60) TSHRALDH1A1MAPK1KMT2AMEN1
SCHEMBL11404158 0.79 ALDH1A1 (0.41) TSHRALDH1A1MAPK1KMT2AMEN1
SCHEMBL10757303 0.78 ATM (0.58) TSHRALDH1A1MAPK1KMT2AMEN1
SCHEMBL68365 0.78 TSHR (0.60) TSHRALDH1A1MAPK1KMT2AMEN1
SCHEMBL9446983 0.78 TSHR (0.56) TSHRALDH1A1MAPK1HPGDSNCA
SCHEMBL8461057 0.78 TSHR (0.59) TSHRALDH1A1MAPK1TDP1CYP3A4
SCHEMBL5178027 0.76 TSHR (0.56) TSHRALDH1A1MAPK1KMT2AMEN1
SCHEMBL3295597 0.75 TSHR (0.64) TSHRALDH1A1MAPK1TDP1CYP3A4

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-2000001674-A1 PROCESS FOR MAKING 1,5-DISUBSTITUTED IMIDAZOLES MERCK & CO., INC. (US) 2000-01-13 — — WO disclosed
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