SCHEMBL9259929

SCHEMBL9259929

Cc1cccn2c(=O)c(-c3nnnn3C3CCCC3)cnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.39
KMT2A Q03164 2/20 0.38
KPNA2 P52292 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
GAA P10253 3/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.35
PDE9A O76083 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL356833 0.80 MAPT (0.41) TP53ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9262158 0.79 TP53 (0.38) TP53KMT2AKPNA2ALDH1A1KDM4E
SCHEMBL9261024 0.77 MAPT (0.39) TP53ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9259561 0.77 MAPT (0.41) TP53ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9259671 0.75 ALDH1A1 (0.40) TP53KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL9256015 0.75 MAPT (0.40) TP53ALDH1A1KDM4ETSHRHPGD
SCHEMBL9255701 0.75 MAPT (0.38) TP53KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL9253888 0.74 MAPT (0.39) TP53KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL9256075 0.73 MAPT (0.39) TP53ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL9255925 0.73 MAPT (0.39) TP53ALDH1A1KDM4EHSD17B10HPGD

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
US-5475000-A Antiulcer agents CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1995-12-12 US disclosed