SCHEMBL9435007

SCHEMBL9435007

CCCc1nc2c(C)cc(C(=O)OCC)nc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 6/20 0.40
CYP2C19 P33261 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37

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
SCHEMBL6299898 0.89 CYP1A2 (0.43) CYP1A2ALDH1A1CYP2C19MAPTLMNA
Hydrogen Peroxide SCHEMBL9434810 0.88 CYP1A2 (0.42) CYP1A2ALDH1A1CYP2C19MAPTLMNA
SCHEMBL3220742 0.80 GABRP (0.41) ALDH1A1MAPTLMNAGABRPGABRD
SCHEMBL3707018 0.76 ACACB (0.43) ALDH1A1MAPTLMNASMN1; SMN2POLB
SCHEMBL9598987 0.76 KDM4E (0.35) ALDH1A1MAPTKDM4EKMT2AMAPK1
SCHEMBL4329765 0.75 ADORA1 (0.40) CYP1A2ALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL9434416 0.73 ADORA3 (0.33) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL159894 0.71 ACACB (0.43) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL14775596 0.70 ACACB (0.42) ALDH1A1MAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL6306226 0.70 MAPK1 (0.44) ALDH1A1MAPTLMNAGABRPGABRD

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
WO-1994011369-A1 ANTIHYPERTENSIVE 5-[(IMIDAZO[4,5-b]PYRIDIN-3-YL)METHYL]BENZOFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 1994-05-26 WO disclosed