SCHEMBL29922446

SCHEMBL29922446

CC(C)(O)C(=O)c1cnc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.39
▸ POLB P06746 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ CCR9 P51686 2/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ GAA P10253 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ ATR Q13535 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL24198751 0.87 NNMT (0.40) NNMTPOLBAPEX1ALDH1A1NAPRT
SCHEMBL13304188 0.77 NNMT (0.43) NNMTPOLBALDH1A1NAPRTSIRT6
SCHEMBL29562604 0.77 NNMT (0.43) NNMTPOLBALDH1A1NAPRTSIRT6
SCHEMBL16333365 0.77 NNMT (0.42) NNMTALDH1A1NAPRTSIRT6MEN1
SCHEMBL29577063 0.77 NNMT (0.42) NNMTALDH1A1NAPRTSIRT6MEN1
SCHEMBL28662886 0.77 NNMT (0.42) NNMTNAPRTSIRT6MEN1KMT2A
SCHEMBL30726361 0.76 ATR (0.43) NNMTKMT2AATRCNR2
SCHEMBL18298896 0.76 ATR (0.43) NNMTKMT2AATRCNR2
SCHEMBL625580 0.75 SMN1; SMN2 (0.47) NNMTALDH1A1NAPRTSIRT6MEN1
SCHEMBL29446081 0.75 SMN1; SMN2 (0.47) NNMTALDH1A1NAPRTSIRT6MEN1

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
WO-2022188735-A1 HETEROCYCLIC COMPOUNDS AS HPK1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2022-09-15 — — WO disclosed
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