SCHEMBL10389907

SCHEMBL10389907

CCC(=O)N(C)c1cccc(-c2ccc3nncn3n2)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPT P10636 2/20 0.52
▸ BRD4 O60885 1/20 0.50
▸ LIN28A Q9H9Z2 1/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ GAA P10253 2/20 0.47

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
SCHEMBL10389636 0.89 POLB (0.53) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389656 0.89 BRD4 (0.54) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389947 0.87 BRD4 (0.65) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389901 0.84 POLB (0.52) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389394 0.83 POLB (0.52) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389916 0.80 BRD4 (0.78) POLBKDM4EALDH1A1MAPTBRD4
SCHEMBL10389969 0.79 BRD4 (0.60) POLBKDM4EALDH1A1BRD4LIN28A
SCHEMBL10390960 0.78 BRD4 (0.58) POLBKDM4EMAPTBRD4LIN28A
SCHEMBL10389281 0.77 BRD4 (0.57) POLBKDM4EMAPTBRD4LIN28A
SCHEMBL10389641 0.77 ALDH1A1 (0.47) POLBKDM4EHTTALDH1A1MAPT

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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