SCHEMBL6854073

SCHEMBL6854073

Cc1ccc2c(c1)c(=O)n(C(c1ccc(CC(=O)O)cc1)N(C)C)c1nncn21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.37
CYP26A1 O43174 1/20 0.35
CYP3A4 P08684 1/20 0.35
SLC22A12 Q96S37 2/20 0.34
PTGER4 P35408 1/20 0.34
KDM4E B2RXH2 4/20 0.33
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
DHFR P00374 1/20 0.32
PARP15 Q460N3 2/20 0.32
PARP10 Q53GL7 2/20 0.32
TNKS2 Q9H2K2 2/20 0.32

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
SCHEMBL6849953 0.90 CYP26A1 (0.33) CYP26A1CYP3A4KDM4EHSD17B10ALDH1A1
SCHEMBL6854194 0.83 APEX1 (0.36) APEX1SLC22A12PTGER4KDM4EHSD17B10
SCHEMBL6856311 0.83 SMN1; SMN2 (0.33) HSD17B10SMN1; SMN2PARP15PARP10TNKS2
SCHEMBL6849986 0.81 APEX1 (0.35) APEX1SLC22A12PTGER4KDM4EHSD17B10
SCHEMBL6854433 0.72 PIK3R1 (0.36) HSD17B10SMN1; SMN2
SCHEMBL8345163 0.68 SMN1; SMN2 (0.45) KDM4EHSD17B10ALDH1A1MAPTPOLB
SCHEMBL6855394 0.68 SIGMAR1 (0.34) MEN1KMT2A
SCHEMBL6854065 0.66 MAPT (0.48) APEX1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL7578062 0.65 NPC1 (0.45) KDM4EHSD17B10ALDH1A1HPGDMEN1
SCHEMBL6212237 0.65 CYP26B1 (0.39) KDM4EHSD17B10ALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed
EP-1177195-B1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER LAMBERT CO (US) 2003-03-19 EP disclosed
US-20020119967-A1 Pharmaceutical composition for preventing or treating a disease associated with an excess of IL-12-production WARNER-LAMBERT COMPANY 2002-08-29 US disclosed
EP-1177195-A1 1-AMINO TRIAZOLO 4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2002-02-06 EP disclosed
WO-2000066584-A1 1-AMINO TRIAZOLO¢4,3-a! QUINAZOLINE-5-ONES AND OR -5-THIONES INHIBITING PHOSPHODIESTERASE IV WARNER-LAMBERT COMPANY (US) 2000-11-09 WO disclosed