SCHEMBL7821885

SCHEMBL7821885

N#Cc1c(-c2c(CCCCN)[nH]c3ccccc23)[nH]c(=O)n1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.39
NTRK2 Q16620 5/20 0.39
IGF1R P08069 3/20 0.39
FGFR1 P11362 3/20 0.39
NTRK3 Q16288 3/20 0.39
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDE9A O76083 3/20 0.34
SCN9A Q15858 2/20 0.33
MCL1 Q07820 1/20 0.33
TDP2 O95551 1/20 0.33
CAMK2D Q13557 1/20 0.32
RECQL P46063 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPEPPS P55786 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
SCHEMBL7819968 0.91 KMT2A (0.39) ALDH1A1MAPTTDP1RECQLSMN1; SMN2
SCHEMBL7821934 0.81 PDE9A (0.33) PDE9ACAMK2DNPEPPS
SCHEMBL7822940 0.81 CAMK2D (0.38) MAPTTDP1PDE9ACAMK2DNPEPPS
SCHEMBL7812544 0.80 NPEPPS (0.38) ALDH1A1PDE9ACAMK2DGAANPEPPS
SCHEMBL7819587 0.79 MAPT (0.37) ALDH1A1MAPTNPC1GAASMN1; SMN2
Acetic Acid SCHEMBL7840658 0.78 NPEPPS (0.33) PDE9ACAMK2DNPEPPS
Trifluoroacetic Acid SCHEMBL7838986 0.76 SSTR4 (0.33) PDE9A
SCHEMBL7826410 0.76 CAMK2D (0.33) PDE9ACAMK2D
SCHEMBL7820462 0.75 CAMK2D (0.34) PDE9ACAMK2DNPEPPS
SCHEMBL7827359 0.74 CAMK2D (0.40) MAPTTDP1PDE9ACAMK2DNPEPPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095039-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS AstraZeneca AB (SE) 2001-05-02 EP disclosed
WO-2000002877-A2 NEW PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2000-01-20 WO disclosed