SCHEMBL10402249

SCHEMBL10402249

Cc1ccc(S(=O)(=O)OC([C]=S)CSc2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
LMNA P02545 4/20 0.48
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 2/20 0.39
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10404243 0.89 ALDH1A1 (0.49) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL10402503 0.83 KMT2A (0.43) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL10402251 0.81 ALDH1A1 (0.48) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL10404244 0.81 ALDH1A1 (0.50) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL10402284 0.81 KMT2A (0.37) ALDH1A1LMNASMN1; SMN2NPC1KDM4E
SCHEMBL10404254 0.78 ALDH1A1 (0.58) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL10402762 0.74 LMNA (0.48) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL10402685 0.72 LMNA (0.52) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL7140573 0.72 ALDH1A1 (0.49) ALDH1A1LMNARAB9ASMN1; SMN2NPC1
SCHEMBL10767199 0.71 ALDH1A1 (0.52) ALDH1A1LMNARAB9ASMN1; SMN2NPC1

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