SCHEMBL9847767

SCHEMBL9847767

Nc1ccc(-c2ccccc2)c2c1C(N)c1ccccc1-2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
MAOA P21397 2/20 0.32
ADORA2A P29274 2/20 0.32
FGR P09769 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
DYRK1A Q13627 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
CSNK1G1 Q9HCP0 1/20 0.32
MAOB P27338 1/20 0.32
DPP4 P27487 1/20 0.32
BRD4 O60885 1/20 0.31
NR1I2 O75469 1/20 0.31
SMARCA2 P51531 1/20 0.31

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
SCHEMBL28107581 0.79 ALDH1A1 (0.36) ALDH1A1HSD17B10CHRNB2CHRNA4NCOA1
SCHEMBL9847771 0.77 ALDH1A1 (0.40) ALDH1A1HSD17B10CHRNB2CHRNA4NCOA1
SCHEMBL29557747 0.71 ALDH1A1 (0.42) ALDH1A1HSD17B10ADORA2ACRHBPCRHR2
SCHEMBL20357943 0.70 ALDH1A1 (0.34) ALDH1A1HSD17B10CHRNB2CHRNA4NCOA1
Biphenyl SCHEMBL21382703 0.69 ALDH1A1 (0.45) ALDH1A1HSD17B10MAOAMAOBDPP4
Hydrochloric Acid SCHEMBL7927089 0.69 ALDH1A1 (0.41) ALDH1A1HSD17B10ADORA2ACRHBPCRHR2
SCHEMBL30866155 0.68 HSD17B10 (0.52) ALDH1A1HSD17B10MAOAADORA2AFGR
SCHEMBL845162 0.68 HSD17B10 (0.52) ALDH1A1HSD17B10MAOAADORA2AFGR
SCHEMBL15366509 0.67 ADORA2A (0.44) ALDH1A1HSD17B10MAOAADORA2AFGR
SCHEMBL153531 0.66 HSD17B10 (0.50) ALDH1A1HSD17B10MAOAADORA2AFGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412882-A1 Gas separation membrane Institut Français du Pétrole (FR) 1991-02-13 EP claimed
EP-0412881-A1 Gas separation membrane Institut Français du Pétrole (FR) 1991-02-13 EP disclosed
EP-0412882-A1 Gas separation membrane Institut Français du Pétrole (FR) 1991-02-13 EP disclosed