SCHEMBL7444028

SCHEMBL7444028

N=C(NO)c1nc(-c2cccc(-c3ccccc3)c2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.44
HDAC8 Q9BY41 3/20 0.43
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL7441613 0.90 MAPT (0.50) NR1H4HDAC8HDAC6HDAC3MAPT
SCHEMBL7435899 0.86 MAPT (0.57) HDAC8HDAC6HDAC3MAPTALDH1A1
SCHEMBL7437716 0.84 ABL1 (0.52) MAPTMEN1KMT2ACYP1A2TP53
SCHEMBL7429806 0.84 KDM4E (0.56) NR1H4HDAC6MAPTALDH1A1MEN1
SCHEMBL7437048 0.84 ATP4A (0.51) HDAC6MAPTALDH1A1LMNAHTT
SCHEMBL7428965 0.83 RAB9A (0.55) HDAC8HDAC6HDAC3MAPTALDH1A1
SCHEMBL7429088 0.81 CFTR (0.47) HDAC8HDAC6HDAC3MAPTALDH1A1
SCHEMBL7426082 0.81 MEN1 (0.51) HDAC6MAPTALDH1A1MEN1KMT2A
SCHEMBL7431073 0.80 CSNK2A1 (0.57) HDAC8HDAC6HDAC3MAPTALDH1A1
SCHEMBL27631751 0.79 NR1H4 (0.54) NR1H4MAPTALDH1A1LMNAHTT

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