SCHEMBL11048979

SCHEMBL11048979

COC(=O)Cn1c(=S)[nH]c2c(C)csc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.40
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 5/20 0.39
RXFP1 Q9HBX9 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
PPARG P37231 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1B P35368 1/20 0.35
KAT2B Q92831 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL11048982 0.80 KDM4E (0.37) QPCTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL11045232 0.76 ALDH1A1 (0.60) QPCTSMN1; SMN2ALDH1A1RXFP1NPSR1
SCHEMBL11045234 0.68 GRIK1 (0.45) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5123935 0.68 QPCT (1.00) QPCTKDM4EALDH1A1RXFP1
SCHEMBL11051146 0.68 SMN1; SMN2 (0.45) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL5125330 0.68 QPCT (1.00) QPCTKMT2A
SCHEMBL23635683 0.64 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EALDH1A1RXFP1NPSR1
SCHEMBL24961270 0.64 SMN1; SMN2 (0.38) SMN1; SMN2KDM4ENPC1RAB9AALDH1A1
SCHEMBL1993342 0.64 QPCT (0.60) QPCTSMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL19265939 0.63 QPCT (0.43) QPCTSMN1; SMN2ALDH1A1ADRA1BLMNA

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