SCHEMBL7842241

SCHEMBL7842241

Cc1cc(-c2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.49
▸ HSD17B10 Q99714 1/20 0.43
▸ RORC P51449 2/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPBWR1 P48145 1/20 0.40
▸ HTR1E P28566 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ TSHR P16473 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ NHERF1 O14745 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39

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
SCHEMBL28030677 0.70 KMT2A (0.61) KMT2AHSD17B10GAAALDH1A1CYP3A4
SCHEMBL16620979 0.70 KMT2A (0.61) KMT2AHSD17B10RORCMEN1POLB
SCHEMBL21020739 0.70 MAPT (0.48) KMT2AHSD17B10RORCMEN1ALDH1A1
SCHEMBL4273466 0.70 SRC (0.66) HSD17B10ALDH1A1CYP3A4TDP1NPBWR1
SCHEMBL27652680 0.70 HSD17B10 (0.58) KMT2AHSD17B10RORCMEN1POLB
SCHEMBL1789120 0.70 KMT2A (0.75) KMT2AHSD17B10RORCMEN1ALDH1A1
Methylamine SCHEMBL11821451 0.69 ALDH1A1 (0.62) KMT2AHSD17B10MEN1ALDH1A1CYP3A4
SCHEMBL29739558 0.69 ALDH1A1 (0.67) KMT2AHSD17B10RORCMEN1ALDH1A1
SCHEMBL431298 0.69 ALDH1A1 (0.67) KMT2AHSD17B10RORCMEN1ALDH1A1
SCHEMBL305393 0.69 ALDH1A1 (0.67) KMT2AHSD17B10RORCMEN1POLB

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
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 — — EP disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 — — WO disclosed
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