SCHEMBL7258758

SCHEMBL7258758

CC(C)(C)n1nnc(-c2ccc(CC(=O)O)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
POLB P06746 1/20 0.52
TSHR P16473 3/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AOC3 Q16853 2/20 0.46
RXRA P19793 3/20 0.46
RXRB P28702 3/20 0.46
RXRG P48443 3/20 0.46
LMNA P02545 3/20 0.44
ABCC4 O15439 1/20 0.44
GAA P10253 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL9078546 0.86 SMN1; SMN2 (0.50) SMN1; SMN2POLBTSHRMAPK1L3MBTL1
Propionic Acid SCHEMBL10593320 0.81 POLB (0.64) SMN1; SMN2POLBTSHRMAPK1L3MBTL1
SCHEMBL9079405 0.79 AOC3 (0.47) SMN1; SMN2POLBTSHRMAPK1L3MBTL1
SCHEMBL20714306 0.77 AOC3 (0.50) SMN1; SMN2POLBTSHRMAPK1L3MBTL1
SCHEMBL9078945 0.77 AOC3 (0.47) SMN1; SMN2POLBTSHRMAPK1L3MBTL1
SCHEMBL22231401 0.76 SMN1; SMN2 (0.41) SMN1; SMN2POLBTSHRMAPK1L3MBTL1
SCHEMBL22231402 0.76 SMN1; SMN2 (0.41) SMN1; SMN2POLBTSHRMAPK1L3MBTL1
SCHEMBL9745752 0.76 SMN1; SMN2 (0.48) SMN1; SMN2POLBTSHRMAPK1L3MBTL1
Tetrazole SCHEMBL9079231 0.76 POLB (0.41) SMN1; SMN2POLBTSHRMAPK1L3MBTL1
SCHEMBL9078674 0.75 AOC3 (0.48) SMN1; SMN2POLBTSHRMAPK1L3MBTL1

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-2003059903-A2 SUBSTITUTED 4-AMINOPYRIDINE DERIVATIVES USED AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-07-24 WO disclosed