SCHEMBL7429806

SCHEMBL7429806

N=C(NO)c1nc(-c2cccc(F)c2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 4/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
CYP1A2 P05177 3/20 0.41
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
SIRT5 Q9NXA8 1/20 0.40
IDO1 P14902 1/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 2/20 0.39
HK1 P19367 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
SCHEMBL7444028 0.84 NR1H4 (0.44) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7435899 0.84 MAPT (0.57) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7437048 0.83 ATP4A (0.51) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7437716 0.83 ABL1 (0.52) MAPTMEN1KMT2ACYP1A2CYP1A1
SCHEMBL7426082 0.83 MEN1 (0.51) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7430029 0.82 ALDH1A1 (0.52) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7441613 0.82 MAPT (0.50) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL7429088 0.80 CFTR (0.47) MAPTMEN1KMT2AALDH1A1HDAC6
SCHEMBL7431073 0.79 CSNK2A1 (0.57) MAPTMEN1KMT2AALDH1A1HDAC1
SCHEMBL7428965 0.79 RAB9A (0.55) KDM4EMAPTMEN1KMT2AALDH1A1

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-0506194-B1 4-aryl-thiazole or imidazole derivatives AKZO NOBEL NV (NL) 1996-08-21 EP disclosed
US-5462959-A 4-aryl-imidazole derivatives AKZO N.V. (NL) 1995-10-31 US disclosed
US-5254575-A 4-aryl-thiazole derivatives AKZO N.V. (NL) 1993-10-19 US disclosed
EP-0506194-A1 4-aryl-thiazole or imidazole derivatives Akzo Nobel N.V. (NL) 1992-09-30 EP disclosed