SCHEMBL9027005

SCHEMBL9027005

Cc1ncsc1C(O)c1cccc(N)c1.Cc1ncsc1C(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PFKFB3 Q16875 1/20 0.39
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
ACP3 P15309 1/20 0.38
MAP2K1 Q02750 1/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM8 O00222 3/20 0.36
GRM6 O15303 3/20 0.36
GRM4 Q14833 3/20 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
SCHEMBL8629582 0.94 KMT2A (0.46) ALDH1A1KMT2AMEN1HPGDL3MBTL1
SCHEMBL8630297 0.87 PFKFB3 (0.38) ALDH1A1PFKFB3TSHRRECQL
SCHEMBL31067589 0.80 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1HPGDL3MBTL1
SCHEMBL17065068 0.80 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1HPGDL3MBTL1
SCHEMBL8631276 0.72 BRD4 (0.41) KMT2AMEN1ACP3
SCHEMBL8634093 0.72 BRD4 (0.43) ACHE
SCHEMBL17064903 0.72 ALOX5 (0.47) ALDH1A1KMT2AMEN1HPGDL3MBTL1
SCHEMBL17064674 0.70 CA1 (0.56) ALDH1A1KMT2AMEN1LMNAMAP2K1
SCHEMBL8631320 0.70 ALDH1A1 (0.37) ALDH1A1LMNATSHRMAPTSMN1; SMN2
3-Nitroaniline SCHEMBL28807505 0.69 ALDH1A1 (0.88) ALDH1A1KMT2AMEN1LMNATSHR

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-0707574-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES Astra Aktiebolag (SE) 1996-04-24 EP disclosed
WO-1995001968-A1 NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1995-01-19 WO disclosed