SCHEMBL28868912

SCHEMBL28868912

Cc1cccc2c(C(N)=O)c(C)n(C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 1/20 0.46
▸ FTO Q9C0B1 1/20 0.46
▸ EGFR P00533 3/20 0.43
▸ SRC P12931 1/20 0.43
▸ ATM Q13315 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HCRTR1 O43613 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SLC9A1 P19634 1/20 0.38
▸ EPHB4 P54760 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ TTK P33981 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ MAPT P10636 3/20 0.35

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
SCHEMBL26581400 0.85 ATM (0.55) ALKBH5FTOEGFRATMKMT2A
SCHEMBL6671401 0.76 EGFR (0.66) EGFRSRCKMT2AMEN1ALDH1A1
SCHEMBL29414698 0.76 EGFR (0.66) EGFRSRCKMT2AMEN1ALDH1A1
SCHEMBL28268477 0.73 EGFR (0.43) ALKBH5FTOEGFRSRCKMT2A
SCHEMBL28115226 0.73 ALKBH5 (0.46) ALKBH5FTOEGFRSRCKMT2A
SCHEMBL30583770 0.72 ALKBH5 (0.57) ALKBH5FTOATMKMT2AMEN1
SCHEMBL25534616 0.72 ALKBH5 (0.57) ALKBH5FTOATMKMT2AMEN1
SCHEMBL311565 0.71 PARP1 (0.46) KMT2AMEN1EPHB4ALDH1A1BLM
SCHEMBL14931058 0.71 ALKBH5 (0.72) ALKBH5FTOATMKMT2AMEN1
SCHEMBL7268507 0.70 KDM4E (0.41) ALKBH5FTOKMT2AMEN1NPC1

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-106459030-B Replace tropane derivatives 东亚荣养株式会社 2019-01-29 — — CN claimed
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