SCHEMBL9745752

SCHEMBL9745752

CC(C(=O)O)c1ccc(-c2nnn(C(C)(C)C)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 1/20 0.48
PTGS2 P35354 7/20 0.47
CYP2C9 P11712 3/20 0.47
TP53 P04637 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
MAPK1 P28482 2/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AOC3 Q16853 2/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7258758 0.76 SMN1; SMN2 (0.52) SMN1; SMN2POLBCYP2C9TP53USP2
SCHEMBL20714306 0.76 AOC3 (0.50) SMN1; SMN2POLBTP53USP2MAPK1
SCHEMBL4415031 0.75 SMN1; SMN2 (0.60) SMN1; SMN2POLBCYP1A2MAPK1TSHR
Propionic Acid SCHEMBL10593320 0.74 POLB (0.64) SMN1; SMN2POLBCYP2C9CYP1A2MAPK1
SCHEMBL9078674 0.74 AOC3 (0.48) SMN1; SMN2POLBCYP2C9TP53MAPK1
SCHEMBL6507597 0.72 SMN1; SMN2 (0.57) SMN1; SMN2POLBCYP2C9TP53MAPK1
SCHEMBL22231486 0.72 AOC3 (0.47) SMN1; SMN2POLBCYP1A2MAPK1TSHR
SCHEMBL9079266 0.72 AOC3 (0.47) SMN1; SMN2POLBTP53MAPK1TSHR
SCHEMBL6601841 0.72 AOC3 (0.47) SMN1; SMN2POLBCYP2C9MAPK1TSHR
SCHEMBL6601376 0.72 AOC3 (0.50) SMN1; SMN2POLBMAPK1TSHRL3MBTL1

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-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 US disclosed