SCHEMBL20909800

SCHEMBL20909800

Cc1nc2ncc(Cl)cc2[nH]1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
HTT P42858 3/20 0.56
HSD17B10 Q99714 1/20 0.56
AURKA O14965 1/20 0.54
KIF11 P52732 1/20 0.54
ALDH1A1 P00352 2/20 0.52
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
GUSB P08236 3/20 0.47
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
PABPC1 P11940 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2756735 0.82 SMN1; SMN2 (0.67) SMN1; SMN2HTTHSD17B10AURKAKIF11
SCHEMBL618430 0.78 SMN1; SMN2 (1.00) SMN1; SMN2HTTAURKAALDH1A1HPGD
SCHEMBL21263259 0.78 SMN1; SMN2 (0.62) SMN1; SMN2HTTHSD17B10AURKAKIF11
SCHEMBL16739826 0.78 SMN1; SMN2 (0.62) SMN1; SMN2HTTHSD17B10AURKAKIF11
SCHEMBL23664110 0.76 HTT (0.70) SMN1; SMN2HTTHSD17B10AURKAKIF11
SCHEMBL15108922 0.76 SMN1; SMN2 (0.59) SMN1; SMN2HTTHSD17B10AURKAKIF11
SCHEMBL10141176 0.76 SMN1; SMN2 (0.59) SMN1; SMN2HTTHSD17B10AURKAKIF11
SCHEMBL10146396 0.74 AURKA (0.58) SMN1; SMN2HTTHSD17B10AURKAHPGD
SCHEMBL21604724 0.73 SMN1; SMN2 (0.56) SMN1; SMN2HTTAURKAALDH1A1HPGD
SCHEMBL7214669 0.73 SMN1; SMN2 (0.56) SMN1; SMN2HSD17B10ALDH1A1HPGDPOLB

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-2019074824-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-18 WO disclosed