SCHEMBL28110970

SCHEMBL28110970

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

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HSPB1 P04792 3/20 0.47
ALOX12 P18054 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAPT P10636 2/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 1/20 0.39
NAMPT P43490 1/20 0.39
XDH P47989 1/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL31067280 0.87 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTPDGFRB
SCHEMBL30129995 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTPDGFRB
SCHEMBL28110425 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL360009 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTPDGFRB
SCHEMBL29620071 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTPDGFRB
SCHEMBL4866756 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTNPC1
SCHEMBL2810966 0.80 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL2230388 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL29642602 0.77 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL20660816 0.77 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AHSPB1TAAR1

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
CN-118496154-A Quinoline group-containing triptycene diamine monomer, polymer and preparation method 吉林大学 2024-08-16 CN disclosed
CN-106255692-A Imidazo [4,5-c ] quinolin-2-one compounds and their use in treating cancer 阿斯利康(瑞典)有限公司 2016-12-21 CN disclosed