SCHEMBL8311455

SCHEMBL8311455

Cc1ccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 1/20 0.67
ADORA1 P30542 1/20 0.67
KDM4E B2RXH2 6/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HPGD P15428 3/20 0.60
MAPK1 P28482 1/20 0.58
KMT2A Q03164 1/20 0.55
RAB9A P51151 2/20 0.49
HSD17B10 Q99714 1/20 0.48
ADORA3 P0DMS8 2/20 0.48
TNKS O95271 2/20 0.48
TNKS2 Q9H2K2 2/20 0.48
PARP1 P09874 1/20 0.48
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ADORA2A P29274 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 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
SCHEMBL14184314 0.86 TMIGD3 (0.62) TMIGD3ADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL14303513 0.84 ALDH1A1 (0.62) TMIGD3ADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL2843704 0.82 KDM4E (0.50) TMIGD3ADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18351094 0.77 MAPK1 (0.58) TMIGD3ADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL13005006 0.76 BRD4 (0.78) KDM4EALDH1A1SMN1; SMN2HPGDRAB9A
SCHEMBL14875649 0.74 TYMS (0.47) TMIGD3ADORA1KDM4ESMN1; SMN2MAPK1
SCHEMBL16298727 0.74 MAPK1 (1.00) TMIGD3ADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL8989109 0.73 TNKS2 (0.57) KDM4ESMN1; SMN2KMT2ARAB9ATNKS
SCHEMBL3491840 0.72 ALDH1A1 (0.62) KDM4EALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL2843024 0.72 TMIGD3 (0.46) TMIGD3ADORA1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004065391-A1 4-AMINOTHIENO[2,3-d]PYRIMIDINE-6-CARBONITRILE DERIVATIVES AS PDE7 INHIBITORS ALMIRALL PRODESFARMA S.A. (ES) 2004-08-05 WO disclosed