SCHEMBL10404141

SCHEMBL10404141

CS(=O)(=O)NC(C=O)CSc1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL10401948 0.88 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10403761 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10402318 0.78 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10401947 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10402159 0.76 KMT2A (0.45) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10402885 0.72 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10402716 0.72 KMT2A (0.46) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10402504 0.71 KMT2A (0.43) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10403589 0.71 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10403453 0.71 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1

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