SCHEMBL10401948

SCHEMBL10401948

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.40
PKM P14618 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 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
SCHEMBL10404141 0.88 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10404255 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10401984 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10401947 0.78 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10402504 0.76 KMT2A (0.43) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10404208 0.73 RAB9A (0.41) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10404014 0.71 NPC1 (0.47) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10403761 0.71 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10402320 0.71 KMT2A (0.46) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL10403062 0.70 NPC1 (0.46) 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