SCHEMBL10403232

SCHEMBL10403232

CC(=O)OC([C]=O)CSc1ccncc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
CYP19A1 P11511 1/20 0.33
GRM2 Q14416 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK14 Q16539 1/20 0.32
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
MIF P14174 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL10402218 0.88 USP2 (0.36) USP2MAPK1LMNAALDH1A1PKM
SCHEMBL10404331 0.85 MTNR1A (0.49) USP2MAPK1ALDH1A1MTNR1AMTNR1B
SCHEMBL10403024 0.78 USP2 (0.37) USP2MAPK1LMNAALDH1A1PKM
SCHEMBL10767204 0.77 LMNA (0.48) LMNAALDH1A1PKMHSD17B10KMT2A
SCHEMBL10402220 0.75 USP2 (0.38) USP2MAPK1LMNAALDH1A1PKM
SCHEMBL10403605 0.70 L3MBTL1 (0.43) LMNAALDH1A1PKMCYP19A1HTT
SCHEMBL10402083 0.68 ALDH1A1 (0.30) LMNAALDH1A1PKM
SCHEMBL10404178 0.67 TSHR (0.33)
SCHEMBL10403022 0.67 CYP19A1 (0.41) USP2MAPK1LMNAALDH1A1CYP19A1
SCHEMBL13113137 0.67 PKM (0.51) LMNAALDH1A1PKMHTTHSD17B10

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
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed