SCHEMBL9730848

SCHEMBL9730848

COCCN(CCOC)C(=O)c1cc(C(N)=O)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM5C P41229 3/20 0.40
KDM5B Q9UGL1 3/20 0.40
KDM5A P29375 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM5D Q9BY66 1/20 0.40
SCN9A Q15858 2/20 0.39
MLYCD O95822 1/20 0.39
KDM4B O94953 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NAMPT P43490 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
IKBKB O14920 1/20 0.38
KDM6B O15054 1/20 0.37
TET3 O43151 1/20 0.37
KDM4A O75164 1/20 0.37
BBOX1 O75936 1/20 0.37

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
SCHEMBL18864231 0.90 MAPT (0.46) ALDH1A1MAPTL3MBTL1KDM5CKDM5B
SCHEMBL18864232 0.88 FTO (0.53) ALDH1A1MAPTL3MBTL1KDM5CKDM5B
SCHEMBL3807628 0.85 ALDH1A1 (0.49) ALDH1A1MAPTL3MBTL1KDM5CKDM5B
SCHEMBL9731392 0.81 SMN1; SMN2 (0.42) ALDH1A1MAPTL3MBTL1KDM5CKDM5B
SCHEMBL5251044 0.77 PARP1 (0.49) ALDH1A1MAPTMLYCDKDM4ENAMPT
SCHEMBL8842629 0.77 LOXL2 (0.50) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30260189 0.77 AURKA (0.49) KDM5CKDM5BKDM5AKDM4CKDM5D
SCHEMBL29066364 0.76 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1KDM5CKDM5B
SCHEMBL9731029 0.76 SCN9A (0.41) ALDH1A1MAPTL3MBTL1SCN9AMLYCD
SCHEMBL16569986 0.74 ALDH1A1 (0.53) ALDH1A1MAPTL3MBTL1KDM5CKDM5B

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-5130317-A Immunosuppressants and fibrosuppressants for metabolism of collagen HOECHST AKTIENGESELLSCHAFT (DE) 1992-07-14 US disclosed