SCHEMBL6857070

SCHEMBL6857070

NNc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.74
RAB9A P51151 1/20 0.74
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
CASR P41180 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.49

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
SCHEMBL6797484 0.86 POLB (0.72) POLBRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL10920778 0.85 POLB (1.00) POLBRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL6799696 0.80 RAB9A (0.63) POLBRAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL31196722 0.80 SMN1; SMN2 (0.70) POLBALDH1A1SMN1; SMN2HDAC3HDAC4
SCHEMBL6857076 0.79 POLB (0.47) POLBRAB9AALDH1A1SMN1; SMN2HDAC3
SCHEMBL8515506 0.79 RAB9A (0.62) POLBRAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL15766067 0.76 TGM2 (0.59) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6616462 0.75 POLB (0.71) POLBRAB9AALDH1A1SMN1; SMN2HDAC1
SCHEMBL6613106 0.74 POLB (0.62) POLBRAB9AALDH1A1KDM4EMEN1
SCHEMBL29446406 0.74 CASR (0.61) POLBRAB9AALDH1A1SMN1; SMN2HDAC1

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