SCHEMBL29280536

SCHEMBL29280536

c1ccc(Sc2cccc3[nH]c4cnccc4c23)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHUK O15111 3/20 0.53
GABRA1 P14867 2/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA3 P34903 2/20 0.53
GABRA2 P47869 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
GABRP O00591 1/20 0.53
GABRD O14764 1/20 0.53
IKBKB O14920 1/20 0.53
AURKA O14965 1/20 0.53
PIM1 P11309 1/20 0.53
TOP1 P11387 1/20 0.53
IDO1 P14902 1/20 0.53
GABRB1 P18505 1/20 0.53
MAOA P21397 1/20 0.53

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
SCHEMBL25117285 0.83 TUBB4A (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL644972 0.77 TYMS (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5671454 0.74 TYMS (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7086128 0.72 CHUK (0.58) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL29986179 0.72 CHUK (0.58) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL9427509 0.72 IMPDH2 (0.62) CHUKGABRA1GABRG2GABRB3GABRA5
SCHEMBL9428698 0.71 CHUK (0.53) CHUKGABRA1GABRG2GABRB3GABRA5
Norharmane SCHEMBL9486853 0.70 CHUK (1.00) CHUKGABRA1GABRG2GABRB3GABRA5
Carbazole SCHEMBL18684843 0.70 CHUK (1.00) CHUKGABRA1GABRG2GABRB3GABRA5
Norharmane SCHEMBL29370219 0.70 CHUK (1.00) CHUKGABRA1GABRG2GABRB3GABRA5

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-117761299-A High-sensitivity AMI two-marker synchronous detection test strip 天津医科大学总医院 2024-03-26 CN disclosed