SCHEMBL7090936

SCHEMBL7090936

CC(C)c1nc2c([nH]1)c(=S)[nH]c(=O)n2-c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HSD17B10 Q99714 4/20 0.43
USP2 O75604 2/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
ESR1 P03372 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 5/20 0.43
GAA P10253 4/20 0.43
HPGD P15428 4/20 0.43
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL7090943 0.81 TLR7 (0.48) MAPTMAPK1LMNAHTTKDM4E
SCHEMBL7680197 0.73 TLR7 (0.48) MAPK1TP53LMNATSHRHTT
SCHEMBL9788509 0.70 ALDH1A1 (0.36) MAPTHSD17B10KDM4EGAAHPGD
SCHEMBL7088461 0.69 TLR7 (0.50) TP53LMNATSHRHTTKDM4E
SCHEMBL7088426 0.68 TLR7 (0.48)
SCHEMBL7423089 0.68 ADORA2A (0.39)
SCHEMBL7423540 0.66 ADORA2A (0.45)
SCHEMBL9788499 0.66 KDM4E (0.33) MAPTKDM4EHPGDALDH1A1
SCHEMBL8592487 0.66 TLR7 (0.51) MAPTHSD17B10KDM4EGAAHPGD
SCHEMBL9799805 0.66 KDM4E (0.59) MAPTTP53LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814809-B1 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 2003-08-13 EP disclosed
US-6440979-B1 Aryl isoguanines EURO-CELTIQUE, S.A. (LU) 2002-08-27 US disclosed
US-6066641-A PHOSPHODIESTERASES AS MOLECULAR TARGETS FOR ANTI-ASTHMATIC AGENTS EURO-CELTIQUE S.A. (LU) 2000-05-23 US disclosed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed