SCHEMBL28045657

SCHEMBL28045657

O=COCCc1cc(Cc2ccc(F)cc2)[nH]n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.39
▸ DAO P14920 3/20 0.38
▸ RET P07949 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ HCAR2 Q8TDS4 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ MAOB P27338 3/20 0.32
▸ MAOA P21397 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ PARP1 P09874 1/20 0.32
▸ ALPL P05186 1/20 0.31

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
SCHEMBL27785798 0.78 APP (0.48) MAPT
SCHEMBL27413353 0.76 HCAR2 (0.41) HCAR2
SCHEMBL28163549 0.74 DAO (0.41) MAPTDAORETKDRHCAR2
SCHEMBL28013856 0.74 MAPT (0.48) MAPTRETKDRALPL
SCHEMBL2094074 0.73 TAAR1 (0.45) ALDH1A1MAOBMAOA
SCHEMBL27515285 0.73 HCAR2 (0.39) HCAR2
SCHEMBL27657741 0.71 HCAR2 (0.44) HCAR2
SCHEMBL27864520 0.71 HCAR2 (0.43) HCAR2ALDH1A1HPGD
SCHEMBL23929231 0.70 HTR2A (0.40) MAPTDAORETKDRHCAR2
SCHEMBL28035629 0.69 — —

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105121432-A Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE IP DEV LTD 2015-12-02 — — CN disclosed
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