SCHEMBL19901694

SCHEMBL19901694

CCOc1ccc2nc(C)c(C(=O)O)c(N)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
HSD17B10 Q99714 5/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CYP1A2 P05177 1/20 0.59
TSHR P16473 1/20 0.59
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
BLM P54132 2/20 0.55
TERT O14746 1/20 0.55
ABCB11 O95342 1/20 0.55
LMNA P02545 1/20 0.55
THRB P10828 1/20 0.55
MAPK1 P28482 2/20 0.55
CASP7 P55210 2/20 0.55
MAPT P10636 1/20 0.55
CASP1 P29466 1/20 0.55
FKBP4 Q02790 1/20 0.47
FKBP5 Q13451 1/20 0.47

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
SCHEMBL2513239 0.86 HSD17B10 (0.54) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL620402 0.85 KDM4E (0.56) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL11873079 0.84 KDM4E (0.61) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL10251073 0.80 KMT2A (0.54) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL620101 0.80 ALDH1A1 (0.58) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL21149067 0.80 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL18081995 0.77 TP53 (0.53) HSD17B10ALDH1A1MEN1KMT2AGAA
SCHEMBL18080679 0.77 TP53 (0.47) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL15491552 0.77 ALDH1A1 (0.56) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL439500 0.77 ALDH1A1 (0.60) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2

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-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 US disclosed