SCHEMBL11501487

SCHEMBL11501487

C=CC(N)N1C(=O)c2ccc3ccccc3c2C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 1/20 0.44
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ USP2 O75604 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ RAB9A P51151 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
SCHEMBL3259474 0.78 CASP3 (0.44) MEN1KMT2AALDH1A1LMNATP53
SCHEMBL2639666 0.74 DNMT1 (0.46) DNMT1ADRA1DADRA1AADRA1BMEN1
SCHEMBL10426593 0.72 DNMT1 (0.50) DNMT1MEN1KMT2AALDH1A1USP2
SCHEMBL5022469 0.71 CASP3 (0.54) DNMT1MEN1KMT2AALDH1A1USP2
SCHEMBL8407062 0.68 DNMT1 (0.50) DNMT1ADRA1DADRA1AADRA1BMEN1
SCHEMBL4109839 0.68 DNMT1 (0.50) DNMT1MEN1KMT2AALDH1A1USP2
SCHEMBL567138 0.68 DNMT1 (0.50) DNMT1MEN1KMT2AALDH1A1USP2
SCHEMBL4104478 0.68 DNMT1 (0.50) DNMT1ADRA1DADRA1AADRA1BMEN1
SCHEMBL6734024 0.68 DNMT1 (0.50) DNMT1ADRA1DADRA1AADRA1BMEN1
SCHEMBL5742513 0.68 KMT2A (0.59) DNMT1MEN1KMT2AALDH1A1TP53

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-4204063-A ANTITUMOR AGENTS LABORATORIOS MADE, S.A. (ES) 1980-05-20 — — US disclosed
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