SCHEMBL6156831

SCHEMBL6156831

O=[N+]([O-])c1ccccc1/C(Cl)=N\O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ CTSD P07339 1/20 0.50
▸ TDP1 Q9NUW8 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ PLAU P00749 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALPL P05186 1/20 0.43

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
SCHEMBL6156834 1.00 ALDH1A1 (0.53) ALDH1A1CTSDTDP1MEN1KMT2A
SCHEMBL10548093 0.79 CTSD (0.56) ALDH1A1CTSDTDP1MEN1KMT2A
SCHEMBL13646974 0.79 CTSD (0.56) ALDH1A1CTSDTDP1MEN1KMT2A
SCHEMBL11699791 0.79 TDP1 (0.45) ALDH1A1CTSDTDP1MEN1KMT2A
SCHEMBL103644 0.79 CTSD (0.65) ALDH1A1CTSDTDP1MEN1KMT2A
SCHEMBL12253467 0.78 ALDH1A1 (0.53) ALDH1A1CTSDTDP1MEN1KMT2A
SCHEMBL9184932 0.78 ALDH1A1 (0.53) ALDH1A1CTSDTDP1MEN1KMT2A
SCHEMBL2079715 0.77 TSHR (0.53) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL2079716 0.77 TSHR (0.53) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL14375069 0.77 TSHR (0.53) ALDH1A1TDP1MEN1KMT2AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204322-B1 FUNGICIDES AVENTIS CROPSCIENCE GMBH (DE) 2005-02-09 — — EP disclosed
US-6630495-B1 Compound containing 2-pyridyl or its N-oxide BAYER CROPSCIENCE GMBH (DE) 2003-10-07 — — US disclosed
EP-1204322-A1 FUNGICIDES Aventis CropScience GmbH (DE) 2002-05-15 — — EP disclosed
WO-2001011966-A1 FUNGICIDES AVENTIS CROPSCIENCE GMBH (DE) 2001-02-22 — — WO disclosed
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