SCHEMBL9925831

SCHEMBL9925831

Cc1nnc(CSc2nc3cscc3nc2C(F)(F)F)o1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLP1R P43220 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 1/20 0.32
HTT P42858 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ESR2 Q92731 1/20 0.31
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
NOTUM Q6P988 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9900753 0.68 ALDH1A1 (0.46) NPC1RAB9ANPSR1SMN1; SMN2KDM4E
SCHEMBL15219435 0.60 RAB9A (0.47) NPC1RAB9ANPSR1SMN1; SMN2KDM4E
SCHEMBL9900886 0.58 GLP1R (0.35) GLP1RKDM4EALDH1A1MAPT
SCHEMBL5654331 0.58 NPC1 (0.41) NPC1RAB9ANPSR1SMN1; SMN2KDM4E
SCHEMBL9966007 0.57 TLR8 (0.31) GRIN1GRIN2BNOTUM
SCHEMBL23284016 0.55 DRD2 (0.33) MAPT
SCHEMBL10284724 0.55 SMO (0.46) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL19203778 0.54
SCHEMBL9900904 0.53 CA1 (0.35) GLP1R
SCHEMBL10959080 0.53 L3MBTL1 (0.38) L3MBTL1

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-2012076966-A1 SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS LUPIN LIMITED (IN) 2012-06-14 WO disclosed