SCHEMBL28394845

SCHEMBL28394845

N=C(N)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ POLB P06746 3/20 0.52
▸ TSHR P16473 3/20 0.52
▸ NAMPT P43490 1/20 0.49
▸ C1S P09871 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ NPY2R P49146 1/20 0.47
▸ SLC6A7 Q99884 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 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
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 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
SCHEMBL18453164 0.83 WNT3A (0.53) MAPTMEN1KMT2A
SCHEMBL29557360 0.79 WNT3A (0.50) —
Trifluoroacetic Acid SCHEMBL18453923 0.78 WNT3A (0.49) —
SCHEMBL28390145 0.77 ALDH1A1 (0.53) ALDH1A1MAPTUSP2MAPK1HDAC3
SCHEMBL28392909 0.77 TGM2 (0.51) HDAC1HTR2ASMN1; SMN2
SCHEMBL4069752 0.77 WNT3A (0.58) ALDH1A1LMNATSHRNAMPTMAPT
SCHEMBL29389581 0.77 FLT3 (0.47) ALDH1A1MAPTKMT2AHDAC3HDAC2
SCHEMBL28937063 0.77 FLT3 (0.47) ALDH1A1MAPTKMT2AHDAC3HDAC2
SCHEMBL18453953 0.76 MAPT (0.44) ALDH1A1POLBMAPTUSP2MEN1
Trifluoroacetic Acid SCHEMBL18453160 0.75 CDK6 (0.46) HDAC3HDAC2

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
CN-109928975-B Industrial preparation method of Riboxini 新发药业有限公司 2020-04-28 — — CN claimed
CN-109928975-B Industrial preparation method of Riboxini 新发药业有限公司 2020-04-28 — — CN disclosed
Send feedback