SCHEMBL9533201

SCHEMBL9533201

COC(=O)C(=Cc1c(C)nn2ccccc12)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.44
HDAC1 Q13547 2/20 0.36
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 2/20 0.35
MIF P14174 2/20 0.35
MEN1 O00255 1/20 0.35
PDE5A O76074 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
PDE4A P27815 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 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
SCHEMBL9533197 1.00 MAPT (0.44) MAPTALDH1A1HDAC1NPSR1LMNA
SCHEMBL9531184 0.84 PDE4B (0.49) MAPTALDH1A1NPSR1LMNAMIF
SCHEMBL9531191 0.84 PDE4B (0.49) MAPTALDH1A1NPSR1LMNAMIF
SCHEMBL3070035 0.72 HPGD (0.46) MAPTALDH1A1HDAC1NPSR1LMNA
SCHEMBL5848990 0.68 ALDH1A1 (0.51) MAPTALDH1A1HDAC1NPSR1MIF
SCHEMBL6526697 0.67 MEN1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6526695 0.67 MEN1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL15026365 0.67 MEN1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL7384129 0.66 MAPT (0.53) MAPTALDH1A1NPSR1LMNAMEN1
SCHEMBL17047960 0.66 ALDH1A1 (0.43) MAPTALDH1A1HDAC1NPSR1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0270926-B1 AGENTS PROMOTING THE ACTIVITY OF SOME ANTITUMOR AGENTS AND METHODS FOR THEIR PRODUCTION KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1993-03-17 EP disclosed
US-4923871-A ANTITUMOR KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1990-05-08 US disclosed
EP-0270926-A2 Agents promoting the activity of some antitumor agents and methods for their production KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1988-06-15 EP disclosed