SCHEMBL174581

SCHEMBL174581

CSC(C)CC(=O)Nc1nnc(-c2cccnc2)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
ALDH1A1 P00352 7/20 0.57
RAB9A P51151 3/20 0.57
NPC1 O15118 3/20 0.56
MAPT P10636 2/20 0.55
BLM P54132 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 2/20 0.52
RECQL P46063 1/20 0.52
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52
PTPN11 Q06124 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
PKM P14618 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
THRB P10828 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL255987 0.81 HDAC1 (0.68) HDAC1HDAC2ALDH1A1RAB9ANPC1
SCHEMBL13074688 0.81 CYP1A2 (0.48) HDAC1HDAC2ALDH1A1RAB9ANPC1
SCHEMBL17589847 0.81 CYP1A2 (0.57) HDAC1ALDH1A1RAB9ANPC1MAPT
SCHEMBL23932950 0.81 ALDH1A1 (0.67) HDAC1HDAC2ALDH1A1RAB9ANPC1
SCHEMBL15109245 0.81 CYP1A2 (0.47) HDAC1HDAC2ALDH1A1RAB9ANPC1
SCHEMBL18569340 0.81 CYP1A2 (0.47) HDAC1HDAC2ALDH1A1RAB9ANPC1
SCHEMBL13048792 0.81 CYP1A2 (0.47) HDAC1HDAC2ALDH1A1RAB9ANPC1
SCHEMBL174582 0.81 ALDH1A1 (0.58) HDAC1HDAC2ALDH1A1RAB9ANPC1
SCHEMBL27804580 0.79 HDAC1 (0.68) HDAC1HDAC2ALDH1A1RAB9ANPC1
SCHEMBL27929806 0.79 ALDH1A1 (0.65) HDAC1HDAC2ALDH1A1RAB9ANPC1

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-2611299-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-10 EP disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed