SCHEMBL10390958

SCHEMBL10390958

Cc1nnc2ccc(-c3cccc(N(C)C(=O)C(C)(C)C)c3)nn12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.78
▸ LIN28A Q9H9Z2 1/20 0.78
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ GABRA1 P14867 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ GABRG2 P18507 1/20 0.55
▸ GABRB3 P28472 1/20 0.55
▸ GABRA5 P31644 1/20 0.55
▸ GABRA3 P34903 1/20 0.55
▸ GABRA2 P47869 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ MAPT P10636 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ RECQL P46063 1/20 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
SCHEMBL10389654 0.87 BRD4 (0.83) BRD4LIN28AKDM4EALDH1A1CYP1A2
SCHEMBL3475782 0.87 BRD4 (1.00) BRD4LIN28AKDM4EALDH1A1CYP1A2
SCHEMBL30006979 0.87 BRD4 (1.00) BRD4LIN28AKDM4EALDH1A1CYP1A2
SCHEMBL10389950 0.86 BRD4 (0.81) BRD4LIN28AKDM4EALDH1A1CYP1A2
SCHEMBL10389880 0.86 BRD4 (0.64) BRD4LIN28AKDM4EALDH1A1CYP1A2
SCHEMBL10389916 0.84 BRD4 (0.78) BRD4LIN28AKDM4EALDH1A1CYP1A2
SCHEMBL10389330 0.83 BRD4 (0.74) BRD4LIN28AKDM4EALDH1A1CYP1A2
SCHEMBL10390981 0.83 BRD4 (0.78) BRD4LIN28AKDM4EALDH1A1CYP1A2
SCHEMBL10693221 0.83 BRD4 (0.74) BRD4LIN28AKDM4EALDH1A1CYP1A2
SCHEMBL10389383 0.81 BRD4 (0.72) BRD4LIN28AKDM4EALDH1A1CYP1A2

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 2 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-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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