SCHEMBL8551127

SCHEMBL8551127

COC(=O)COc1ccc(NC(=O)c2csc(C3CCN(C(=O)OCc4ccccc4)CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
ENPP2 Q13822 2/20 0.44
PTPN1 P18031 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GRIN2B Q13224 3/20 0.42
USP30 Q70CQ3 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
FLT3 P36888 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL8551784 0.85 HTT (0.46) LMNARAB9AMAPTALDH1A1HTT
SCHEMBL8554012 0.79 SMN1; SMN2 (0.56) RAB9AHTTENPP2SMN1; SMN2NPC1
SCHEMBL3594917 0.77 SMN1; SMN2 (0.51) LMNARAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL8551545 0.75 ENPP2 (0.42) LMNARAB9AMAPTALDH1A1ENPP2
SCHEMBL16392290 0.75 MAPT (0.54) LMNAMAPTALDH1A1PTPN1SMN1; SMN2
SCHEMBL2806642 0.75 ENPP2 (0.47) RAB9AENPP2NPC1
SCHEMBL2809066 0.74 GRIN2B (0.47) LMNAMAPTALDH1A1ENPP2SMN1; SMN2
SCHEMBL17766775 0.74 TDP1 (0.51) LMNARAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1118236 0.73 GPR119 (0.51) RAB9ASMN1; SMN2NPC1GRIN2B
SCHEMBL2806832 0.72 JAK2 (0.44) ENPP2USP30FLT3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0858457-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM Dr. Karl Thomae GmbH (DE) 1998-08-19 EP disclosed
WO-1997015567-A1 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM DR. KARL THOMAE GMBH (DE) 1997-05-01 WO disclosed