SCHEMBL7676540

SCHEMBL7676540

CC(C)c1nc2c([nH]1)c(=O)[nH]c(=O)n2Cc1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
BRD2 P25440 1/20 0.51
BRD3 Q15059 1/20 0.51
BRDT Q58F21 1/20 0.51
TLR7 Q9NYK1 6/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
TSHR P16473 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
MAPK1 P28482 1/20 0.50
TLR8 Q9NR97 1/20 0.49
TP53 P04637 1/20 0.47
XBP1 P17861 1/20 0.47
ATM Q13315 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
PNP P00491 1/20 0.45
POLB P06746 1/20 0.44
TRAP1 Q12931 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL7088461 0.88 TLR7 (0.50) TLR7ALDH1A1MEN1TSHRKMT2A
SCHEMBL7680197 0.88 TLR7 (0.48) BRD4BRD2BRD3BRDTTLR7
SCHEMBL7090838 0.88 TLR7 (0.50) BRD4TLR7MEN1TSHRKMT2A
SCHEMBL7426524 0.87 KMT2A (0.43) BRD4BRD2BRD3BRDTALDH1A1
SCHEMBL21389526 0.83 BRD4 (0.54) BRD4BRD2BRD3BRDTTLR7
SCHEMBL3229725 0.82 ADORA2A (0.47) P2RX3
SCHEMBL7091342 0.81 KDM4E (0.42) TLR7ALDH1A1MEN1TSHRKMT2A
SCHEMBL7953405 0.81 ADORA2A (0.41) TLR7ALDH1A1MEN1TSHRKMT2A
SCHEMBL3111144 0.80 ADORA2B (0.48) ALDH1A1TSHRHPGDMAPK1HSD17B10
SCHEMBL7091169 0.80 ADORA2B (0.48) ALDH1A1TSHRHPGDMAPK1HSD17B10

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
US-6440979-B1 Aryl isoguanines EURO-CELTIQUE, S.A. (LU) 2002-08-27 US disclosed
US-6090816-A ANTIASTHMA AGENTS EURO-CELTIQUE S.A. (LU) 2000-07-18 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