SCHEMBL7007602

SCHEMBL7007602

Cc1c(C(=O)N(C)C)sc2ncn(CCO)c(=O)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.59
ALDH1A1 P00352 5/20 0.54
LMNA P02545 3/20 0.54
USP2 O75604 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
GAA P10253 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
BCAT2 O15382 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 4/20 0.47
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.44

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
SCHEMBL7014969 0.89 HPGD (0.58) HPGDALDH1A1LMNAUSP2MAPK1
SCHEMBL265218 0.81 ALDH1A1 (0.55) HPGDALDH1A1LMNAHTTGAA
SCHEMBL7011681 0.79 HPGD (0.48) HPGDALDH1A1LMNAUSP2MAPK1
Hydrochloric Acid SCHEMBL7722346 0.79 HPGD (0.48) HPGDALDH1A1LMNAUSP2MAPK1
SCHEMBL263250 0.78 TP53 (0.72) HPGDALDH1A1LMNAGAAMEN1
SCHEMBL7013064 0.78 HTR1A (0.53) HPGDALDH1A1LMNAUSP2MAPK1
SCHEMBL7015282 0.78 HTR1A (0.54) HPGDALDH1A1LMNAUSP2MAPK1
SCHEMBL7012057 0.77 HTR1A (0.61) HPGDGAAPOLB
SCHEMBL7007932 0.77 HTR1A (0.60) HPGDLMNAGAAPOLB
SCHEMBL7014563 0.77 HTR1A (0.53) HPGDPOLB

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-0988306-B1 3-SUBSTITUTED 3,4 DIHYDRO-THIENO 2, 3-D]PYRIMIDINE DERIVATIVES AND PRODUCTION AND USE OF THE SAME ABBOTT GMBH & CO KG (DE) 2003-07-09 EP disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6159962-A 3-substituted 3,4-dihydro-thieno[2,3-D]pyrimidine derivatives and production and use of the same BASF AKTIENGESELLSCHAFT (DE) 2000-12-12 US disclosed