SCHEMBL19687645

SCHEMBL19687645

CCc1c(N)nsc1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.40
MAPT P10636 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 9/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HSD17B10 Q99714 6/20 0.36
TSHR P16473 2/20 0.36
HPGD P15428 8/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.34
ALOX15 P16050 2/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34

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
SCHEMBL20631657 0.77 ALDH1A1 (0.42) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL17871030 0.75 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL20631096 0.73 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL30852659 0.72 L3MBTL1 (0.46) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL19687621 0.70 ATR (0.37) ALDH1A1MAPTKMT2AHSD17B10TSHR
SCHEMBL9446210 0.70 ALDH1A1 (0.40) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL20609732 0.70 ALDH1A1 (0.38) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL20049782 0.69 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL17871020 0.68 KDM4E (0.47) ALDH1A1MAPTKMT2AMEN1KDM4E
SCHEMBL17871022 0.68 ALDH1A1 (0.36) ALDH1A1MAPTKMT2AMEN1KDM4E

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-2017207395-A1 ISOTHIAZOLOPYRIDONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-12-07 WO disclosed