SCHEMBL22065282

SCHEMBL22065282

Cc1ccc(NC(=O)CN)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.56
▸ TERT O14746 2/20 0.54
▸ ALOX15 P16050 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46

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
SCHEMBL6262103 0.86 POLB (0.56) POLBALOX15USP2CASP1CASP7
SCHEMBL11028119 0.83 ALDH1A1 (0.69) POLBLMNAALDH1A1MAPTGAA
SCHEMBL3800184 0.82 MAPT (0.54) POLBALOX15USP2CASP1CASP7
SCHEMBL11320359 0.82 GNG2 (0.53) POLBALOX15LMNAALDH1A1MAPT
SCHEMBL2855474 0.82 TDP1 (0.52) POLBALOX15USP2CASP1CASP7
SCHEMBL11596592 0.81 ALDH1A1 (0.71) POLBLMNAALDH1A1MAPTCA1
SCHEMBL2081736 0.80 TDP1 (0.57) POLBHSD17B10ALDH1A1MAPTCA1
SCHEMBL6827233 0.80 KIF11 (0.52) POLBALOX15USP2CASP1CASP7
SCHEMBL30483162 0.80 TDP1 (0.57) POLBHSD17B10ALDH1A1MAPTCA1
SCHEMBL11317896 0.80 EPHX2 (0.58) POLBUSP2LMNAALDH1A1MAPT

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
EP-3663293-A1 SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF Xiamen University (CN) 2020-06-10 — — EP disclosed
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