SCHEMBL28089660

SCHEMBL28089660

CCCCCc1[nH]nnc1N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HCAR2 Q8TDS4 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7158489 0.98 ALDH1A1 (0.42) ALDH1A1HCAR2PI4KAPI4K2BPI4K2A
SCHEMBL9632172 0.88 EPHX2 (0.40) ALDH1A1KDM4EMAPT
SCHEMBL5017623 0.85
SCHEMBL2237366 0.85 LMNA (0.35) ALDH1A1HCAR2LMNA
SCHEMBL4788302 0.78 ALDH1A1 (0.41) ALDH1A1KDM4E
SCHEMBL9750315 0.78 HCAR2 (0.36) ALDH1A1HCAR2TLR8MAPTTLR7
SCHEMBL3722892 0.76
SCHEMBL19501783 0.76 HCAR2 (0.38) ALDH1A1HCAR2MAPTHPGDPKM
SCHEMBL11318964 0.76 MEN1 (0.40) ALDH1A1HCAR2MAPTHPGDLMNA
SCHEMBL7855161 0.76 HCAR2 (0.35) ALDH1A1HCAR2MAPTHPGDPKM

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-106177984-A Anti-mesothelin immunoconjugates and application thereof 拜耳知识产权有限责任公司 2016-12-07 CN disclosed
CN-102458477-B Anti-mesothelin immunoconjugates and uses thereof 拜耳知识产权有限责任公司 2016-08-24 CN disclosed