SCHEMBL8929477

SCHEMBL8929477

O=C(O)c1ccccc1-c1ccc2cc(CBr)ccc2n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
LTB4R2 Q9NPC1 7/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FOLH1 Q04609 1/20 0.43
PDE7A Q13946 1/20 0.42
PDE7B Q9NP56 1/20 0.42
LPAR1 Q92633 2/20 0.42
KDM4E B2RXH2 1/20 0.41
PPARG P37231 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRS3 P32247 1/20 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
SCHEMBL9229489 0.88 PDE7A (0.46) RAB9ANPC1LTB4R2SMN1; SMN2FOLH1
SCHEMBL8322442 0.80 KDM4E (0.55) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL5106250 0.78 RAB9A (0.62) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL8807794 0.78 LTB4R2 (0.47) LTB4R2PDE7APDE7BBRS3
SCHEMBL11814702 0.77 MAOA (0.47) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL9224796 0.77 AGTR1 (0.55)
SCHEMBL8326990 0.76 RAB9A (0.53) RAB9ANPC1SMN1; SMN2KDM4EMEN1
SCHEMBL8807800 0.76 LTB4R2 (0.50) LTB4R2PDE7APDE7B
SCHEMBL8487982 0.76 LTB4R2 (0.44) LTB4R2PDE7APDE7BPPARG
SCHEMBL8807157 0.76 LTB4R2 (0.39) LTB4R2PDE7APDE7BLPAR1MEN1

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-0763536-A1 Process for producing 6-aminomethyl-substituted quinoline-benzoic acids ASAHI GLASS COMPANY LTD. (JP) 1997-03-19 EP claimed
EP-0763536-A1 Process for producing 6-aminomethyl-substituted quinoline-benzoic acids ASAHI GLASS COMPANY LTD. (JP) 1997-03-19 EP disclosed