SCHEMBL19937486

SCHEMBL19937486

Cn1[nH]c2ccccc2n(C)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
GPR3 P46089 1/20 0.44
ALOX5 P09917 1/20 0.44
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35

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
SCHEMBL7689542 0.86
SCHEMBL10014869 0.68 GPR3 (0.60) PSMB8NPSR1RXFP1GPR3KDM4E
SCHEMBL14619854 0.67 ALDH1A1 (0.46) PSMB8NPSR1RXFP1ALOX5SLC9A1
SCHEMBL259052 0.65 PSMB8 (1.00) PSMB8NPSR1RXFP1KDM4EALDH1A1
SCHEMBL104742 0.65 LMNA (0.63) PSMB8NPSR1RXFP1ADORA3ADORA2A
SCHEMBL2496853 0.65 RXFP1 (0.59) PSMB8NPSR1RXFP1GPR3GABRP
SCHEMBL29580191 0.63 PSMB8 (0.55) PSMB8NPSR1RXFP1ADORA3ADORA2A
SCHEMBL4706735 0.63 PSMB8 (0.55) PSMB8NPSR1RXFP1ADORA3ADORA2A
SCHEMBL29321 0.63 GPR3 (1.00) NPSR1GPR3KDM4EHSD17B10ALDH1A1
SCHEMBL29461528 0.63 GPR3 (1.00) NPSR1GPR3KDM4EHSD17B10ALDH1A1

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
EP-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed
EP-3063153-B1 AZADIBENZOTHIOPHENES FOR ELECTRONIC APPLICATIONS IDEMITSU KOSAN CO (JP) 2018-03-07 EP disclosed