SCHEMBL11117716

SCHEMBL11117716

O=C(S)N(c1ccc(-c2ccc(=O)[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.42
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
MCL1 Q07820 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOTUM Q6P988 1/20 0.39
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
TYMP P19971 1/20 0.38
DYRK1A Q13627 1/20 0.37
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 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
SCHEMBL11119369 0.84 ALDH1A1 (0.41) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL3103600 0.84 LMNA (0.59) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL11117745 0.82 LMNA (0.68) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL11116072 0.82 LMNA (0.48) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL11119833 0.79 LMNA (0.44) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL11118393 0.74 NTRK1 (0.58) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL11113925 0.72 PDE4A (0.49) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL11117718 0.72 JAK2 (0.43) MEN1KMT2ALMNACYP1A2MAPT
SCHEMBL11115917 0.72 LMNA (0.46) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL11121540 0.71 LMNA (0.47) MEN1KMT2ALMNACYP1A2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0116853-A1 Pyridazinones, processes for preparing them, therapeutical compositions containing these compounds and their use BASF Aktiengesellschaft (DE) 1984-08-29 EP disclosed