SCHEMBL9764337

SCHEMBL9764337

C=Cn1ccnc1C=Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 3/20 0.47
MAP4K4 O95819 1/20 0.43
PRKACA P17612 1/20 0.43
CDK8 P49336 1/20 0.43
MAPK14 Q16539 1/20 0.43
LRRK2 Q5S007 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
LMNA P02545 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAOB P27338 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 5/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KMT2A Q03164 4/20 0.38

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
SCHEMBL2457805 0.75 KDM4E (0.47) SMN1; SMN2GAAMAP4K4PRKACACDK8
SCHEMBL2457803 0.75 KDM4E (0.47) SMN1; SMN2GAAMAP4K4PRKACACDK8
Hydrochloric Acid SCHEMBL29051256 0.73 LMNA (0.43) SMN1; SMN2GAALMNATDP1MAPK1
Bromide SCHEMBL28350490 0.71 LMNA (0.48) SMN1; SMN2GAALMNATDP1MAPK1
SCHEMBL6209010 0.71 KDM4E (0.48) SMN1; SMN2GAAMAP4K4PRKACACDK8
SCHEMBL6209007 0.71 KDM4E (0.48) SMN1; SMN2GAAMAP4K4PRKACACDK8
SCHEMBL28879040 0.70 GRM4 (0.41) SMN1; SMN2MAP4K4PRKACACDK8MAPK14
SCHEMBL2866599 0.69 GAA (0.51) SMN1; SMN2GAAMAP4K4PRKACACDK8
SCHEMBL28314253 0.69 MAOB (0.38) CYP11B1CYP11B2MAOBALDH1A1KMT2A
SCHEMBL19596477 0.66 LMNA (0.43) SMN1; SMN2GAALMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906330-A1 COATED ION EXCHANGE MEMBRANES Evoqua Water Technologies LLC (US) 2015-08-19 EP disclosed
EP-2903737-A1 HIGH-PERFORMANCE ANION EXCHANGE MEMBRANES AND METHODS OF MAKING SAME Evoqua Water Technologies LLC (US) 2015-08-12 EP disclosed
WO-2014055123-A1 HIGH-PERFORMANCE ANION EXCHANGE MEMBRANES AND METHODS OF MAKING SAME EVOQUA WATER TECHNOLOGIES LLC (US) 2014-04-10 WO disclosed
US-5018380-A Organometallic gas carrier in interpenetrating polymer network ALLIED-SIGNAL INC. (US) 1991-05-28 US disclosed
US-4627859-A ORGANOMETALLIC GAS CARRIER INTERDISPERSED IN INTERPENE TRATING POLYMER NETWORK MATRIX ALLIED CORPORATION (US) 1986-12-09 US disclosed