SCHEMBL10389916

SCHEMBL10389916

CCC(=O)N(C)c1cccc(-c2ccc3nnc(C)n3n2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.78
▸ LIN28A Q9H9Z2 1/20 0.78
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ KDM4E B2RXH2 4/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ GABRA1 P14867 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ GABRG2 P18507 1/20 0.52
▸ GABRB3 P28472 1/20 0.52
▸ GABRA5 P31644 1/20 0.52
▸ GABRA3 P34903 1/20 0.52
▸ GABRA2 P47869 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL10693221 0.91 BRD4 (0.74) BRD4LIN28ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10390981 0.89 BRD4 (0.78) BRD4LIN28ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10389956 0.88 BRD4 (0.66) BRD4LIN28ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10389969 0.88 BRD4 (0.60) BRD4LIN28ASMN1; SMN2KDM4EALDH1A1
SCHEMBL3475782 0.87 BRD4 (1.00) BRD4LIN28ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30006979 0.87 BRD4 (1.00) BRD4LIN28ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10389654 0.87 BRD4 (0.83) BRD4LIN28ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10389950 0.86 BRD4 (0.81) BRD4LIN28ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10390960 0.86 BRD4 (0.58) BRD4LIN28ASMN1; SMN2KDM4EMEN1
SCHEMBL10389281 0.85 BRD4 (0.57) BRD4LIN28ASMN1; SMN2KDM4EMEN1

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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