SCHEMBL10403645

SCHEMBL10403645

Cc1ccc(S(=O)(=O)OC([C]=O)CSc2ccncc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 5/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
P2RY12 Q9H244 1/20 0.33
VDR P11473 1/20 0.33
HSD17B10 Q99714 1/20 0.32
DNMT1 P26358 1/20 0.32
GRM2 Q14416 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
SCHEMBL10402284 0.89 KMT2A (0.37) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL10403646 0.81 KMT2A (0.39) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL10404243 0.81 ALDH1A1 (0.49) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL10402285 0.79 KMT2A (0.37) KMT2ANPC1LMNAHTTSMN1; SMN2
SCHEMBL10405293 0.72 KMT2A (0.39) KMT2ALMNAHTTALDH1A1MAPT
SCHEMBL10403886 0.72 DCUN1D1 (0.40) NPC1LMNAHTTALDH1A1MAPT
SCHEMBL10402083 0.70 ALDH1A1 (0.30) LMNAALDH1A1KDM4E
SCHEMBL10403232 0.70 USP2 (0.36) KMT2ALMNAHTTALDH1A1HSD17B10
SCHEMBL10402249 0.70 ALDH1A1 (0.48) KMT2ANPC1LMNASMN1; SMN2ALDH1A1
SCHEMBL7141187 0.69 KMT2A (0.44) KMT2ANPC1LMNAHTTSMN1; SMN2

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