SCHEMBL6857076

SCHEMBL6857076

NNc1nc2ccc(Cl)cc2c(=O)n1CC1=CCCC=C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL6856171 0.87 POLB (0.45) POLBRAB9AKDM4EALDH1A1HPGD
SCHEMBL6857070 0.79 POLB (0.74) POLBRAB9AHDAC3HDAC4HDAC1
SCHEMBL6797484 0.67 POLB (0.72) POLBRAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL10920778 0.65 POLB (1.00) POLBRAB9AKDM4EALDH1A1HSD17B10
SCHEMBL6799696 0.62 RAB9A (0.63) POLBRAB9AKDM4EHSD17B10SMN1; SMN2
SCHEMBL14531296 0.62 MCL1 (0.35) POLBRAB9AKDM4EALDH1A1HSD17B10
SCHEMBL8515506 0.62 RAB9A (0.62) POLBRAB9AKDM4EALDH1A1HSD17B10
SCHEMBL8347845 0.61 SMN1; SMN2 (0.60) POLBHDAC3HDAC4HDAC1HDAC7
SCHEMBL11045707 0.61 CASR (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31196722 0.61 SMN1; SMN2 (0.70) POLBHDAC3HDAC4HDAC1HDAC7

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-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
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