SCHEMBL11045232

SCHEMBL11045232

COC(=O)Cn1c(=S)[nH]c2ccsc2c1=O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
QPCT Q16769 1/20 0.50
NR3C1 P04150 1/20 0.50
HSD17B10 Q99714 2/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.47

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
SCHEMBL14397502 0.84 ALDH1A1 (0.65) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL11045234 0.80 GRIK1 (0.45) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL7889980 0.77 ALDH1A1 (0.63) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL12713434 0.76 LMNA (0.64) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL11048979 0.76 QPCT (0.52) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL12713417 0.76 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL12713422 0.75 QPCT (0.65) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL13236187 0.74 MAPT (0.62) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL12713468 0.74 QPCT (0.61) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL12713416 0.73 LMNA (0.63) ALDH1A1LMNASMN1; SMN2MAPTMEN1

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-4442289-A ANTIASTHMA HOFFMANN-LA ROCHE INC. (US) 1984-04-10 US disclosed
US-4376121-A Antiallerigically-active imidazothienopyrimidine derivatives HOFFMANN-LA ROCHE INC. (US) 1983-03-08 US disclosed