SCHEMBL10887479

SCHEMBL10887479

CC1=NN=C(c2cccc(N)c2)c2cc3c(cc2C1)OCO3

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 4/20 0.76
MEN1 O00255 2/20 0.76
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
CYP2D6 P10635 2/20 0.76
MAPT P10636 2/20 0.76
CYP2C9 P11712 2/20 0.76
NFKB1 P19838 2/20 0.76
CYP2C19 P33261 2/20 0.76
KMT2A Q03164 2/20 0.76
HIF1A Q16665 2/20 0.76
ALDH1A1 P00352 1/20 0.76
TDP1 Q9NUW8 1/20 0.76
LMNA P02545 2/20 0.74
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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
Gyki-52466 SCHEMBL194854 0.86 GRIA2 (1.00) GRIA2MEN1CYP1A2CYP3A4CYP2D6
Gyki-52466 SCHEMBL29357520 0.86 GRIA2 (1.00) GRIA2MEN1CYP1A2CYP3A4CYP2D6
Gyki-52466 SCHEMBL25227675 0.85 LMNA (1.00) GRIA2MEN1CYP1A2CYP3A4CYP2D6
Gyki-52466 SCHEMBL249675 0.85 LMNA (1.00) GRIA2MEN1CYP1A2CYP3A4CYP2D6
Gyki-52466 SCHEMBL29651319 0.85 LMNA (1.00) GRIA2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5048632 0.80 GRIA2 (0.67) GRIA2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10887682 0.79 CYP1A2 (0.47) GRIA2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL6625251 0.76 GRIA2 (0.66) GRIA2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL10893573 0.76 CYP3A4 (0.45) GRIA2MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7492463 0.74 MAPT (0.69) GRIA2MEN1CYP1A2CYP3A4CYP2D6

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
US-4614740-A NERVOUS SYSTEM DISORDERS EGIS GYOGYSZERGYAR (HU) 1986-09-30 US disclosed