SCHEMBL29620071

SCHEMBL29620071

O=[N+]([O-])c1cnc2ccc(Br)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MMP13 P45452 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
KAT2B Q92831 1/20 0.44
AMY1A P0DUB6 1/20 0.43
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
TNF P01375 1/20 0.42
CRHBP P24387 1/20 0.42
MAPK1 P28482 1/20 0.42
CRHR2 Q13324 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
NOD2 Q9HC29 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NOD1 Q9Y239 1/20 0.42

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
SCHEMBL360009 1.00 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMMP13MMP2
SCHEMBL27637998 0.87 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMMP13MMP2
SCHEMBL4816985 0.87 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMMP13MMP2
SCHEMBL2810966 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL4866756 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMMP13MMP2
SCHEMBL28110970 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL30129995 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL28110425 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL2230388 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL29642602 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTHTT

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-4240741-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS Deutsches Krebsforschungszentrum (DE) 2023-09-13 EP disclosed
WO-2022096361-A1 IMIDAZO[4,5-C]QUINOLINE COMPOUNDS AND THEIR USE AS ATM KINASE INHIBITORS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2022-05-12 WO disclosed