SCHEMBL10620690

SCHEMBL10620690

N#Cc1ncn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ P2RX3 P56373 2/20 0.48
▸ P2RX4 Q99571 2/20 0.48
▸ P2RX2 Q9UBL9 2/20 0.48
▸ GAPDH P04406 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 2/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ HRAS P01112 1/20 0.43
▸ HTT P42858 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ENPP1 P22413 1/20 0.40

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
SCHEMBL5746383 0.90 MEN1 (0.54) MEN1USP2POLBKMT2ACA1
SCHEMBL11320454 0.89 MEN1 (0.53) MEN1USP2POLBKMT2ACA1
SCHEMBL10620674 0.86 ALDH1A1 (0.53) ALDH1A1LMNAHTT
SCHEMBL27527014 0.81 MEN1 (0.51) MEN1USP2POLBKMT2ACA1
SCHEMBL10624055 0.81 LMNA (0.60) CA1CA2CA9ALDH1A1LMNA
SCHEMBL20078065 0.80 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL2295858 0.80 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL13376162 0.80 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL13019185 0.80 MEN1 (0.58) MEN1USP2POLBKMT2ACA1
SCHEMBL7143681 0.80 MEN1 (0.56) MEN1USP2POLBKMT2ACA1

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
US-4728729-A ANTITUMOR, IMMUNOSUPPRESSANT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1988-03-01 — — US claimed
US-4728729-A ANTITUMOR, IMMUNOSUPPRESSANT SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1988-03-01 — — US disclosed
Send feedback