SCHEMBL13075014

SCHEMBL13075014

CSCCC(=O)Nc1sc(-c2cccnc2)nc1C(C)S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 2/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 3/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC3 O15379 1/20 0.39
MAPT P10636 3/20 0.38
HTT P42858 1/20 0.38
PKM P14618 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL13047536 0.84 CYP1A2 (0.53) HDAC1HDAC2MEN1KMT2ARAB9A
SCHEMBL290237 0.83 HDAC1 (0.44) HDAC1HDAC2MEN1KMT2ARAB9A
SCHEMBL16651939 0.83 MEN1 (0.45) HDAC1HDAC2MEN1KMT2ARAB9A
SCHEMBL13047709 0.82 MEN1 (0.46) HDAC1HDAC2MEN1KMT2ARAB9A
SCHEMBL18568989 0.81 HDAC1 (0.44) HDAC1HDAC2MEN1KMT2ARAB9A
SCHEMBL13048458 0.79 CYP1A2 (0.52) HDAC1HDAC2MEN1KMT2ARAB9A
SCHEMBL18569004 0.77 MEN1 (0.40) HDAC1HDAC2MEN1KMT2ARAB9A
SCHEMBL255987 0.76 HDAC1 (0.68) HDAC1HDAC2MEN1KMT2ARAB9A
SCHEMBL13074996 0.75 MEN1 (0.47) HDAC1HDAC2MEN1KMT2ARAB9A
SCHEMBL17803432 0.75 MAOB (0.43) HDAC1HDAC2MEN1KMT2ARAB9A

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
WO-2010129497-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2010-11-11 WO disclosed