SCHEMBL10389641

SCHEMBL10389641

C=CCN(C(C)=O)c1cccc(-c2ccc3nncn3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 5/20 0.46
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ BRD4 O60885 1/20 0.44
▸ LIN28A Q9H9Z2 1/20 0.44
▸ PSMD14 O00487 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ PRNP P04156 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ PTPN7 P35236 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ PPP1CA P62136 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL10389394 0.88 POLB (0.52) ALDH1A1LMNAPOLBGAAKDM4E
SCHEMBL10389877 0.84 ALDH1A1 (0.47) ALDH1A1LMNAPOLBGAAKDM4E
SCHEMBL10389901 0.83 POLB (0.52) ALDH1A1LMNAPOLBGAAKDM4E
SCHEMBL10389878 0.82 BRD4 (0.69) ALDH1A1POLBKDM4ESMN1; SMN2MAPT
SCHEMBL10389947 0.82 BRD4 (0.65) ALDH1A1LMNAPOLBGAAKDM4E
SCHEMBL10389636 0.81 POLB (0.53) ALDH1A1LMNAPOLBGAAKDM4E
SCHEMBL10389656 0.78 BRD4 (0.54) ALDH1A1LMNAPOLBGAAKDM4E
SCHEMBL10389907 0.77 POLB (0.53) ALDH1A1LMNAPOLBGAAKDM4E
SCHEMBL10391047 0.71 POLB (0.76) ALDH1A1LMNAPOLBGAAKDM4E
SCHEMBL10694495 0.70 POLB (0.54) ALDH1A1LMNAPOLBGAAKDM4E

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
US-4892873-A MUSCLE RELAXANTS, ANTIEPILEPTIC, AN XIOLYTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1990-01-09 — — US disclosed
US-4767765-A ANXIOLYTIC OR ANTIEPILEPTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1988-08-30 — — US disclosed
US-4654343-A USEFUL AS ANXIOLYTIC OR ANTIEPILEPTIC AGENTS AS WELL AS SEDATIVE-HYPNOTIC AND SKELETAL MUSCLE RELAXANT AGENTS AMERICAN CYANAMID COMPANY (US) 1987-03-31 — — US disclosed
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