SCHEMBL10692083

SCHEMBL10692083

O=c1c(-c2nnn[nH]2)n[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
ALDH1A1 P00352 4/20 0.59
NPC1 O15118 2/20 0.59
TP53 P04637 1/20 0.59
RAB9A P51151 1/20 0.59
CYP1A2 P05177 2/20 0.50
GAA P10253 3/20 0.46
IDO1 P14902 3/20 0.46
TTK P33981 3/20 0.46
HPGD P15428 2/20 0.46
MAPK10 P53779 2/20 0.46
ALPL P05186 1/20 0.46
FGFR1 P11362 2/20 0.42
FLT1 P17948 2/20 0.42
MAP2K4 P45985 2/20 0.41
LRRK2 Q5S007 2/20 0.41
PDPK1 O15530 2/20 0.41
CYP3A4 P08684 2/20 0.41
ATM Q13315 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL2886575 0.87 IDO1 (0.56) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL27956844 0.79 IDO1 (0.61) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL6588566 0.74 KDM4E (0.58) KDM4EALDH1A1CYP1A2GAAIDO1
SCHEMBL11786969 0.70 LRRK2 (0.76) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL2896639 0.70 ITK (0.49) TTKLRRK2AURKAITKPLK4
SCHEMBL8365109 0.70 MKNK1 (0.60) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL1672674 0.69 IDO1 (0.78) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL4220824 0.69 AXL (0.49) KDM4EALDH1A1RAB9AGAAHPGD
SCHEMBL1023212 0.69 CYP1A2 (0.63) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL9041896 0.67 CYP1A2 (0.61) KDM4EALDH1A1NPC1TP53RAB9A

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
EP-0120483-B1 (1H-TETRAZOL-5-YL)-2(1H)-QUINOLINONES MERRELL DOW PHARMACEUTICALS INC. (US) 1987-04-01 EP claimed
EP-0120483-A1 (1H-tetrazol-5-yl)-2(1H)-quinolinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP claimed
US-4735948-A (1H-tetrazol-5-yl)-2(1H)-quinolinones and-naphthyridones and antiallergic use thereof MERRELL DOW PHARMACEUTICALS INC. (US) 1988-04-05 US disclosed
EP-0120483-A1 (1H-tetrazol-5-yl)-2(1H)-quinolinones MERRELL DOW PHARMACEUTICALS INC. (US) 1984-10-03 EP disclosed