SCHEMBL8326844

SCHEMBL8326844

CCCCc1nc2cccnc2n1Cc1ccc(N)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.60
AGTR2 P50052 2/20 0.60
ENPP2 Q13822 3/20 0.57
TLR7 Q9NYK1 2/20 0.56
ALDH1A1 P00352 2/20 0.55
LMNA P02545 4/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
PDE4A P27815 3/20 0.53
PDE4B Q07343 3/20 0.53
PDE4C Q08493 3/20 0.53
PDE4D Q08499 3/20 0.53
MAPT P10636 2/20 0.50
TP53 P04637 2/20 0.50
TBXA2R P21731 1/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 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
SCHEMBL9121774 0.85 AGTR1 (0.57) AGTR1AGTR2ENPP2ALDH1A1LMNA
SCHEMBL7853694 0.84 AGTR1 (0.71) AGTR1AGTR2ENPP2TLR7ALDH1A1
SCHEMBL8327779 0.83 TP53 (0.60) AGTR1AGTR2ENPP2TLR7ALDH1A1
SCHEMBL7850660 0.81 ALDH1A1 (0.64) AGTR1AGTR2ENPP2TLR7ALDH1A1
SCHEMBL9087992 0.81 AGTR1 (0.70) AGTR1AGTR2TLR7
SCHEMBL4957555 0.80 PDE4A (0.84) AGTR1AGTR2TLR7LMNAPDE4A
SCHEMBL9851543 0.79 AGTR1 (0.66) AGTR1AGTR2ENPP2ALDH1A1LMNA
SCHEMBL9044530 0.78 AGTR1 (0.51) AGTR1AGTR2ENPP2ALDH1A1LMNA
SCHEMBL7851373 0.78 AGTR1 (0.75) AGTR1AGTR2
SCHEMBL9043343 0.77 AGTR1 (0.50) AGTR1AGTR2ENPP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709377-B1 Process for producing quinolin-2-yl benzoic acid compounds ASAHI GLASS CO LTD (JP) 1999-09-29 EP disclosed
EP-0709377-A1 Process for producing quinolin-2-yl benzoic acid compounds ASAHI GLASS COMPANY LTD. (JP) 1996-05-01 EP disclosed