SCHEMBL19403443

SCHEMBL19403443

CCOC(=O)CSc1nc2ccccc2n1C

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.75
GAA P10253 1/20 0.75
SMN1; SMN2 Q16637 2/20 0.72
LMNA P02545 4/20 0.68
HTT P42858 1/20 0.64
ALDH1A1 P00352 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
RXFP1 Q9HBX9 1/20 0.58
PDE10A Q9Y233 1/20 0.58
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 2/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 1/20 0.57
GPR55 Q9Y2T6 1/20 0.56

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
SCHEMBL8229849 0.86 ALDH1A1 (0.64) PSMD14GAALMNAALDH1A1RXFP1
SCHEMBL28339660 0.84 RXFP1 (0.64) PSMD14GAASMN1; SMN2LMNAHTT
SCHEMBL9725963 0.82 ALDH1A1 (0.67) GAALMNAALDH1A1NPSR1MAPT
SCHEMBL4476411 0.82 ALDH1A1 (0.71) GAALMNAALDH1A1L3MBTL1NPSR1
SCHEMBL943551 0.82 L3MBTL1 (0.71) PSMD14GAASMN1; SMN2HTTALDH1A1
Hydrochloric Acid SCHEMBL3519020 0.81 ALDH1A1 (0.69) GAALMNAALDH1A1L3MBTL1NPSR1
SCHEMBL4791742 0.81 KMT2A (0.67) GAALMNAALDH1A1L3MBTL1TSHR
SCHEMBL8233041 0.80 POLB (0.56) PSMD14GAASMN1; SMN2LMNAHTT
SCHEMBL19047056 0.77 LMNA (0.49) PSMD14GAASMN1; SMN2LMNAALDH1A1
SCHEMBL7018296 0.77 RAB9A (0.58) PSMD14GAASMN1; SMN2HTTALDH1A1

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-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 WO disclosed