SCHEMBL314157

SCHEMBL314157

CC(=O)Oc1cc(C)nn1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
HPGD P15428 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GAA P10253 2/20 0.41
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RY1 P47900 1/20 0.41
TSHR P16473 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3850358 0.82 NTRK1 (0.55) MAPTHPGDALDH1A1L3MBTL1CYP2C19
SCHEMBL10120031 0.78 MAPT (0.54) MAPTHPGDPOLBSMN1; SMN2ALDH1A1
SCHEMBL18216839 0.77 GRN (0.56) SMN1; SMN2ALDH1A1L3MBTL1GAATSHR
SCHEMBL314283 0.75 SMN1; SMN2 (0.47) MAPTHPGDSMN1; SMN2ALDH1A1CYP2C19
Piperazine SCHEMBL15579214 0.75 NTRK1 (0.48) MAPTALDH1A1L3MBTL1CYP2C19GAA
SCHEMBL28634605 0.73 POLB (0.50) MAPTHPGDPOLBALDH1A1L3MBTL1
SCHEMBL30128951 0.72 POLB (0.43) MAPTHPGDPOLBSMN1; SMN2ALDH1A1
SCHEMBL28634607 0.72 POLB (0.49) MAPTHPGDPOLBALDH1A1L3MBTL1
SCHEMBL28580354 0.71 GAA (0.52) MAPTALDH1A1L3MBTL1CYP2C19GAA
SCHEMBL28594274 0.71 NTRK1 (0.56) MAPTHPGDALDH1A1L3MBTL1CYP2C19

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
US-8093251-B2 Nitrogen-containing heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed