SCHEMBL10366277

SCHEMBL10366277

O=C(CSCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 3/20 0.49
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.46
THRB P10828 1/20 0.46
POLB P06746 2/20 0.46
GSK3B P49841 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL7345361 0.81 SMN1; SMN2 (0.63) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL696173 0.78 GSK3B (0.71) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL24099161 0.78 ALDH1A1 (0.64) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL24099262 0.77 ALDH1A1 (0.67) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10
SCHEMBL9725094 0.74 NPC1 (0.59) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL10367180 0.73 NPC1 (0.43) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10
SCHEMBL10367179 0.73 NPC1 (0.43) ALDH1A1HPGDSMN1; SMN2KMT2AHSD17B10
SCHEMBL10922305 0.72 SMN1; SMN2 (0.44) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL4360907 0.71 NPC1 (0.57) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A
SCHEMBL8014835 0.69 LMNA (0.53) ALDH1A1HPGDSMN1; SMN2MAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0166697-B1 AROYL SUBSTITUTED DIHYDRO-1,4-THIAZINES CIBA-GEIGY AG (CH) 1990-05-09 EP disclosed
US-4622322-A ANTIRHEUMATIC AGENTS CIBA-GEIGY CORPORATION (US) 1986-11-11 US disclosed
EP-0166697-A2 Aroyl substituted dihydro-1,4-thiazines CIBA-GEIGY AG (CH) 1986-01-02 EP disclosed