SCHEMBL10389656

SCHEMBL10389656

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.54
▸ LIN28A Q9H9Z2 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ POLB P06746 5/20 0.52
▸ MAPK1 P28482 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ KDM4E B2RXH2 5/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ HTT P42858 1/20 0.49
▸ PSMD14 O00487 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ PRNP P04156 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ PPARG P37231 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ PPP1CA P62136 1/20 0.48
▸ KMT2A Q03164 1/20 0.48

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
SCHEMBL10389947 0.92 BRD4 (0.65) BRD4LIN28AALDH1A1POLBMAPK1
SCHEMBL10389907 0.89 POLB (0.53) BRD4LIN28AALDH1A1POLBMAPK1
SCHEMBL10389901 0.86 POLB (0.52) ALDH1A1POLBMAPK1LMNAKDM4E
SCHEMBL10389394 0.82 POLB (0.52) BRD4LIN28AALDH1A1POLBMAPK1
SCHEMBL10389636 0.81 POLB (0.53) ALDH1A1POLBMAPK1LMNAKDM4E
SCHEMBL10389654 0.80 BRD4 (0.83) BRD4LIN28AALDH1A1POLBKDM4E
SCHEMBL10389641 0.78 ALDH1A1 (0.47) BRD4LIN28AALDH1A1POLBMAPK1
SCHEMBL10389877 0.78 ALDH1A1 (0.47) BRD4LIN28AALDH1A1POLBMAPK1
SCHEMBL11629762 0.76 ALDH1A1 (0.56) ALDH1A1POLBMAPK1LMNAKDM4E
SCHEMBL10391047 0.76 POLB (0.76) ALDH1A1POLBMAPK1LMNAKDM4E

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 4 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
EP-0223974-A1 N-Substituted-N-[3-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)-phenyl]alkanamides, carbamates and ureas AMERICAN CYANAMID COMPANY (US) 1987-06-03 — — EP 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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