SCHEMBL10692017

SCHEMBL10692017

CC(C)C(C)(C#N)C(=O)NOc1nc2ccccc2cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
IKBKB O14920 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
DHODH Q02127 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL10692023 0.77 SMN1; SMN2 (0.37) SMN1; SMN2TSHRPPARDPPARAALDH1A1
SCHEMBL10683157 0.72 SMN1; SMN2 (0.42) SMN1; SMN2TSHRIKBKBPPARADHODH
SCHEMBL14300893 0.71 SMN1; SMN2 (0.39) SMN1; SMN2TSHRIKBKBDHODHALDH1A1
SCHEMBL9602219 0.70 ALDH1A1 (0.39) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL31423348 0.69 KDM4E (0.56) SMN1; SMN2TSHRIKBKBPPARDPPARA
SCHEMBL3715949 0.69 KDM4E (0.56) SMN1; SMN2TSHRIKBKBPPARDPPARA
SCHEMBL5789435 0.67 KDM4E (0.47) SMN1; SMN2TSHRIKBKBALDH1A1MEN1
SCHEMBL4228872 0.66 KDM4E (0.61) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL14932551 0.65 BCHE (0.45) PPARDPPARAALDH1A1MEN1KMT2A
SCHEMBL10410572 0.65 IKBKB (0.40) SMN1; SMN2TSHRIKBKBDHODHALDH1A1

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-4782157-A FROM CORRESPONDING ANHYDRIDES AMERICAN CYANAMID CO. (US) 1988-11-01 US disclosed