SCHEMBL10404352

SCHEMBL10404352

[O]C(=O)NCCSc1cnns1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GFER P55789 1/20 0.35
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
RPS6KA3 P51812 1/20 0.31
RECQL P46063 1/20 0.31
ALOX5 P09917 1/20 0.31
TEAD1 P28347 1/20 0.30
YAP1 P46937 1/20 0.30
TEAD4 Q15561 1/20 0.30
TEAD2 Q15562 1/20 0.30

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
SCHEMBL10404354 0.87 SMN1; SMN2 (0.37) SMN1; SMN2MAPTHTTALDH1A1GFER
SCHEMBL10402932 0.83 RPS6KA3 (0.33) RPS6KA3
SCHEMBL860259 0.70 FFAR1 (0.39) ALDH1A1POLBKMT2ARAB9A
SCHEMBL10403520 0.70
SCHEMBL10402401 0.69 MTNR1A (0.33) SMN1; SMN2ALDH1A1MTNR1AMTNR1BNPC1
SCHEMBL10402850 0.66 HPGD (0.45) SMN1; SMN2MAPTALDH1A1POLBKMT2A
SCHEMBL10402679 0.65 RAB9A (0.49) SMN1; SMN2HTTALDH1A1MEN1LMNA
SCHEMBL10404003 0.64 ALDH1A1 (0.37) SMN1; SMN2MAPTHTTALDH1A1GFER
SCHEMBL10401986 0.63 MTNR1A (0.71) SMN1; SMN2HTTALDH1A1MEN1LMNA
SCHEMBL10403664 0.62 KMT2A (0.53) SMN1; SMN2MAPTALDH1A1POLBMEN1

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