SCHEMBL10389901

SCHEMBL10389901

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ HTT P42858 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPT P10636 2/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ LMNA P02545 2/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ GAA P10253 2/20 0.48
▸ PSMD14 O00487 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ PRNP P04156 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ PTPN7 P35236 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ PPP1CA P62136 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ PTPN22 Q9Y2R2 1/20 0.46

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 0.92 POLB (0.52) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389636 0.91 POLB (0.53) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389656 0.86 BRD4 (0.54) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389907 0.84 POLB (0.53) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389641 0.83 ALDH1A1 (0.47) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389877 0.83 ALDH1A1 (0.47) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389947 0.82 BRD4 (0.65) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL10389974 0.82 BRD4 (0.67) POLBKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL10389914 0.76 SMN1; SMN2 (0.71) POLBKDM4EHTTALDH1A1MAPT
SCHEMBL11629762 0.74 ALDH1A1 (0.56) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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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