SCHEMBL29922370

SCHEMBL29922370

O=c1onc(C2CC2)c2cc(Br)ccc12

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ ACHE P22303 2/20 0.33
▸ CDC7 O00311 2/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ CSNK2B P67870 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ SCD5 Q86SK9 1/20 0.32
▸ CYP17A1 P05093 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ NPR1 P16066 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL29922151 0.94 ESR2 (0.35) POLBACHECDC7PIM1CSNK2B
SCHEMBL29922376 0.81 DRD2 (0.38) ACHEDRD2SLC6A4CYP17A1TDP1
SCHEMBL30476244 0.79 SCD (0.39) ACHEPIM1DRD2SLC6A4
SCHEMBL24076263 0.72 PRMT5 (0.42) POLBCDC7PIM1CSNK2BCSNK2A1
SCHEMBL29426504 0.72 PRMT5 (0.42) POLBCDC7PIM1CSNK2BCSNK2A1
SCHEMBL3523366 0.70 MAPK14 (0.47) ACHECDC7PIM1CSNK2BCSNK2A1
SCHEMBL17824559 0.69 PRMT5 (0.45) POLBCDC7PIM1CSNK2BCSNK2A1
SCHEMBL29922285 0.69 CA12 (0.47) —
SCHEMBL24252315 0.68 POLB (0.33) POLBACHESLC6A4
SCHEMBL30467658 0.68 POLB (0.33) POLBACHESLC6A4

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
Send feedback