SCHEMBL7941023

SCHEMBL7941023

CCc1cc(N)c(CN)c(CC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
BACE1 P56817 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HSPA5 P11021 1/20 0.32
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
NOS2 P35228 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
LOXL2 Q9Y4K0 2/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
POLB P06746 2/20 0.31
HTT P42858 1/20 0.31
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL395488 0.87 DHFR (0.42) DHFRBACE1MEN1GAAKMT2A
SCHEMBL27726732 0.87 BACE1 (0.39) DHFRBACE1MEN1GAAKMT2A
SCHEMBL28722459 0.78 BACE1 (0.50) DHFRBACE1MEN1GAAKMT2A
SCHEMBL2140622 0.77 NOS3 (0.38) DHFRMEN1GAAKMT2ANOS3
SCHEMBL1829607 0.77 HSPA5 (0.40) DHFRMEN1GAAKMT2AHSPA5
SCHEMBL11803532 0.76 HTT (0.42) DHFRBACE1MEN1GAAKMT2A
SCHEMBL11438351 0.75 HSPA5 (0.35) DHFRBACE1MEN1GAAKMT2A
SCHEMBL27792504 0.75 BACE1 (0.35) DHFRBACE1MEN1GAAKMT2A
SCHEMBL1760666 0.74 DHFR (0.44) DHFRBACE1MEN1GAAKMT2A
SCHEMBL18951028 0.74 HSPA5 (0.37) DHFRBACE1MEN1GAAKMT2A

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-0489418-B1 Novel multicomponent fluid separation membranes AIR LIQUIDE (FR) 2001-03-14 EP disclosed
EP-0489418-A1 Novel multicomponent fluid separation membranes L'AIR LIQUIDE, SOCIETE ANONYME POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 1992-06-10 EP disclosed
US-5085676-A Porous polymeric substrate and polyamide separating layer E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-02-04 US disclosed