SCHEMBL28073018

SCHEMBL28073018

COc1ccccc1C(=O)Nc1nnc(Cc2ccncc2)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ POLB P06746 1/20 0.59
▸ SHMT2 P34897 1/20 0.56
▸ KDR P35968 12/20 0.55
▸ PDGFRB P09619 10/20 0.55
▸ FLT1 P17948 10/20 0.55
▸ KIT P10721 9/20 0.55
▸ CSF1R P07333 2/20 0.48
▸ FLT4 P35916 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ CIT O14578 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ HLA-A P04439 1/20 0.47
▸ RET P07949 1/20 0.47

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
SCHEMBL905597 0.78 SHMT2 (0.78) SHMT2KDRPDGFRBFLT1KIT
SCHEMBL27625198 0.77 KDR (0.57) SHMT2KDRPDGFRBFLT1KIT
SCHEMBL28021680 0.76 FLT1 (0.54) SHMT2KDRPDGFRBFLT1KIT
SCHEMBL27625380 0.75 KDR (0.65) MAPTPOLBSHMT2KDRPDGFRB
SCHEMBL28752805 0.74 FLT1 (0.64) SMN1; SMN2POLBSHMT2KDRPDGFRB
SCHEMBL6609071 0.73 KDR (0.75) SHMT2KDRPDGFRBFLT1KIT
SCHEMBL6778054 0.73 SMN1; SMN2 (0.78) MAPTSMN1; SMN2POLBALDH1A1NPC1
SCHEMBL6607263 0.73 KDR (0.73) KDRPDGFRBFLT1KITCSF1R
SCHEMBL22680408 0.73 KDR (0.83) SHMT2KDRPDGFRBFLT1KIT
SCHEMBL22680726 0.72 SHMT2 (0.60) POLBSHMT2KDRPDGFRBFLT1

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
CN-105579044-A Use of dianhydrogalactitol and analogs and derivatives thereof for treating recurrent malignant glioma or progressive secondary brain tumor DEL MAR PHARMACEUTICALS 2016-05-11 — — CN disclosed
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