SCHEMBL29133580

SCHEMBL29133580

CCc1cc(CO)nc(CC)c1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PARP1 P09874 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33

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
Hydrochloric Acid SCHEMBL4651041 0.69 MEN1 (0.46) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL25611303 0.69 POLB (0.42) POLBCYP1A2MEN1KMT2AGABRP
SCHEMBL30761561 0.69 GABRP (0.40) MEN1KMT2APARP1GABRPGABRD
SCHEMBL440739 0.68 PDE3B (0.37) POLBCYP1A2MEN1KMT2APARP1
SCHEMBL8492592 0.68 POLB (0.37) POLBCYP1A2MEN1KMT2APARP1
SCHEMBL580070 0.67 POLB (0.39) POLBCYP1A2MEN1KMT2APARP1
SCHEMBL2850885 0.67 MEN1 (0.47) POLBMEN1KMT2APARP1ALDH1A1
Hydrochloric Acid SCHEMBL4651135 0.67 PDE3B (0.36) POLBCYP1A2MEN1KMT2APARP1
SCHEMBL9704535 0.67 POLB (0.51) POLBCYP1A2MEN1KMT2AALDH1A1
SCHEMBL3715656 0.66 PARP1 (0.41) POLBCYP1A2MEN1KMT2APARP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117337289-A Tetracyclic compounds for the treatment of brain disorders 加利福尼亚大学董事会 2024-01-02 CN disclosed