SCHEMBL7960352

SCHEMBL7960352

Clc1nc(N2CCc3ccccc3C2)c2nc(Cl)nc(N3CCc4ccccc4C3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 7/20 0.50
GRIN3B O60391 7/20 0.50
GRIN1 Q05586 7/20 0.50
GRIN2A Q12879 7/20 0.50
GRIN2B Q13224 7/20 0.50
GRIN2C Q14957 7/20 0.50
GRIN3A Q8TCU5 7/20 0.50
EED O75530 1/20 0.49
MAPT P10636 5/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.45
PLA2G1B P04054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45

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
SCHEMBL8852169 0.86 KDM4E (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8851147 0.84 HTT (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6966650 0.82 CHRM3 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3641040 0.82 GBA1 (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30919864 0.80 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3714145 0.80 CETP (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7819575 0.79 MAPT (0.55) MAPTKDM4EALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL6999386 0.79 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6997338 0.78 PDE4A (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3703254 0.78 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 US disclosed