SCHEMBL10389389

SCHEMBL10389389

CCNc1nnc2ccc(-c3cccc(N(CC)C(C)=O)c3)nn12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.54
▸ LIN28A Q9H9Z2 1/20 0.54
▸ FYN P06241 4/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ AOX1 Q06278 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CAMK2D Q13557 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL10389904 0.91 BRD4 (0.48) BRD4LIN28AFYNSMN1; SMN2KDM4E
SCHEMBL10391028 0.91 BRD4 (0.55) BRD4LIN28AFYNSMN1; SMN2KDM4E
SCHEMBL10390982 0.89 BRD4 (0.70) BRD4LIN28AFYNSMN1; SMN2KDM4E
SCHEMBL10389280 0.85 BRD4 (0.74) BRD4LIN28ASMN1; SMN2KDM4EGABRA1
SCHEMBL10389639 0.84 BRD4 (0.57) BRD4LIN28AFYNSMN1; SMN2KDM4E
SCHEMBL10389281 0.84 BRD4 (0.57) BRD4LIN28AFYNSMN1; SMN2KDM4E
SCHEMBL10389951 0.82 BRD4 (0.49) BRD4LIN28AFYNSMN1; SMN2KDM4E
SCHEMBL10769715 0.80 FYN (0.61) FYN
SCHEMBL10389394 0.78 POLB (0.52) BRD4LIN28ASMN1; SMN2KDM4EMAPK1
SCHEMBL10390956 0.77 BRD4 (0.71) BRD4LIN28ASMN1; SMN2KDM4EGABRA1

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
Send feedback