SCHEMBL9730823

SCHEMBL9730823

C=C(NC=O)c1cc(O)nc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
PDE10A Q9Y233 1/20 0.38
POLB P06746 2/20 0.38
ERN1 O75460 1/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DHODH Q02127 2/20 0.36
CYP3A4 P08684 2/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36

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
SCHEMBL9731190 0.82 NQO2 (0.32) AKR1C3AKR1C2AKR1C1KDM4ELMNA
SCHEMBL9731511 0.77 MYC (0.37) KDM4ELMNAPOLBERN1HTT
SCHEMBL9732515 0.76 CDC25B (0.48) KDM4ELMNAPOLBERN1HTT
SCHEMBL9732624 0.76 PTPN1 (0.46) KDM4ESMN1; SMN2LMNAPOLBERN1
SCHEMBL9732242 0.75 IKBKB (0.40) KDM4ESMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL9732583 0.75 ERN1 (0.33) KDM4ELMNAPOLBERN1HTT
SCHEMBL9731401 0.74 ERN1 (0.39) KDM4EPOLBERN1USP2L3MBTL1
SCHEMBL662652 0.74 KDM4E (0.64) AKR1C3AKR1C2AKR1C1KDM4ESMN1; SMN2
SCHEMBL30172583 0.74 KDM4E (0.64) AKR1C3AKR1C2AKR1C1KDM4ESMN1; SMN2
SCHEMBL9731137 0.74 THRB (0.41) KDM4ELMNAPOLBERN1HTT

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-5122537-A Tyrosine kinase inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1992-06-16 US disclosed