SCHEMBL30176871

SCHEMBL30176871

O=c1[nH]c(CC2CCCCC2)nc2ccccc12

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 2/20 0.57
PDE10A Q9Y233 1/20 0.57
ALDH1A1 P00352 2/20 0.57
PARP1 P09874 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TSHR P16473 2/20 0.54
USP2 O75604 1/20 0.54
PDE9A O76083 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RAB9A P51151 1/20 0.52
PARP2 Q9UGN5 1/20 0.52

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
SCHEMBL25364009 0.87 TNKS2 (0.56) TNKS2KMT2AMEN1POLBPDE10A
Hydrochloric Acid SCHEMBL6795779 0.86 TNKS2 (0.55) TNKS2KMT2AMEN1POLBPDE10A
SCHEMBL25361548 0.85 PARP1 (0.54) TNKS2KMT2AMEN1POLBPDE10A
SCHEMBL7543801 0.84 PARP1 (0.55) TNKS2KMT2AMEN1PDE10AALDH1A1
Hydrochloric Acid SCHEMBL6795715 0.83 TNKS2 (0.57) TNKS2KMT2AMEN1POLBPDE10A
SCHEMBL16144820 0.82 TNKS2 (0.54) TNKS2KMT2AMEN1POLBPDE10A
SCHEMBL6793345 0.82 MDM2 (0.59) TNKS2KMT2AMEN1POLBPDE10A
SCHEMBL38658339 0.82 KMT2A (0.58) TNKS2KMT2AMEN1POLBPDE10A
Hydrochloric Acid SCHEMBL6796466 0.81 TNKS2 (0.52) TNKS2KMT2AMEN1POLBPDE10A
SCHEMBL30176868 0.81 TNKS2 (0.52) TNKS2KMT2AMEN1POLBPDE10A

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-112174899-B Application of light-promoted Minisci C-H alkylation reaction in preparation of alkyl-substituted azacycle 南开大学 2023-01-17 CN disclosed