SCHEMBL10967759

SCHEMBL10967759

CCSC([S])c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
HTR2A P28223 5/20 0.39
HRH1 P35367 4/20 0.39
MIF P14174 1/20 0.38
TAAR1 Q96RJ0 5/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A4 P31645 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL777788 0.76 LMNA (0.44) LMNAHTR2AHRH1TAAR1SLC6A3
SCHEMBL12774635 0.76 SLC6A3 (0.56) LMNAHTR2AHRH1TAAR1SLC6A3
SCHEMBL1615641 0.76 EPHX1 (0.40) SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12128404 0.74 KMT2A (0.44) LMNAHTR2AHRH1TAAR1SLC6A3
SCHEMBL8693156 0.74 CYP1A2 (0.39) LMNAHTR2ATAAR1SLC6A3CYP1A2
SCHEMBL1758751 0.74 CYP2C19 (0.40) HTR2AHRH1TAAR1SLC6A3CYP1A2
SCHEMBL9681031 0.73 TAAR1 (0.41) LMNAHTR2AHRH1MIFTAAR1
SCHEMBL19485917 0.73 DPP4 (0.44) LMNAHTR2ATAAR1SLC6A3CYP1A2
SCHEMBL12381822 0.73 LMNA (0.46) LMNAHTR2AHRH1MIFTAAR1
SCHEMBL14515481 0.70 LMNA (0.43) LMNASLC6A3CYP1A2CYP3A4CYP2D6

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-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP claimed
EP-0055444-B1 TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-03-20 EP disclosed
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed