SCHEMBL27699448

SCHEMBL27699448

CN(C(=O)CCCN(C(=O)c1cccs1)c1nc(-c2cc3ccccc3o2)cs1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
TSHR P16473 5/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
TP53 P04637 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CACNA2D1 P54289 1/20 0.36

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
SCHEMBL2825134 0.87 SMN1; SMN2 (0.49) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2829429 0.84 SMN1; SMN2 (0.51) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2828619 0.84 SMN1; SMN2 (0.45) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2830926 0.84 SMN1; SMN2 (0.49) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2829489 0.82 SMN1; SMN2 (0.47) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2827014 0.82 SMN1; SMN2 (0.46) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2829550 0.81 SMN1; SMN2 (0.50) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2830858 0.81 SMN1; SMN2 (0.58) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2827704 0.80 SMN1; SMN2 (0.56) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1
SCHEMBL2831457 0.80 SMN1; SMN2 (0.56) SMN1; SMN2TSHROPRM1OPRD1ALDH1A1

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
CN-101048158-A Thiazole based inhibitors of ATP-utilizing enyzmes GENENTECH INC (US) 2007-10-03 CN disclosed