SCHEMBL9398461

SCHEMBL9398461

COc1cc2c(O)cc(C(N)=O)nc2cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 5/20 0.42
GRM2 Q14416 7/20 0.41
EGFR P00533 1/20 0.41
KDR P35968 1/20 0.41
LMNA P02545 1/20 0.40
PGK1 P00558 2/20 0.39
IGFBP5 P24593 1/20 0.38
GSK3B P49841 1/20 0.38
MAP4K2 Q12851 1/20 0.38
ALOX15 P16050 1/20 0.38
CSF1R P07333 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
SCHEMBL2907946 0.87 ALOX15 (0.51) LMNAPGK1IGFBP5GSK3BMAP4K2
SCHEMBL2909922 0.86 NQO2 (0.44) NQO2PGK1GSK3BMAP4K2ALOX15
SCHEMBL27642242 0.78 GRM2 (0.47) NQO2GRM2LMNA
SCHEMBL2910842 0.75 ALOX15 (0.56) LMNAIGFBP5ALOX15
SCHEMBL5717584 0.74 GRM2 (0.55) GRM2LMNA
SCHEMBL1166903 0.74 PDE4D (0.45) NQO2GRM2EGFRKDRLMNA
SCHEMBL2909590 0.74 KMT2A (0.42) EGFRKDRALOX15
SCHEMBL2904873 0.74 NQO2 (0.48) NQO2
SCHEMBL9398504 0.73 PGK1 (0.36) EGFRKDRPGK1GSK3BMAP4K2
SCHEMBL14514062 0.72 GRM2 (0.53) GRM2LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344922-A 4-hydroxyquinaldic acid derivatives BOARD OF REGENTS, UNIVERSITY OF TEXAS 1994-09-06 US disclosed
US-5028707-A 4-hydroxyquinaldic acid derivatives BOARD OF REGENTS, UNIVERSITY OF TEXAS (US) 1991-07-02 US disclosed
WO-1991007390-A1 4-HYDROXYQUINALDIC ACID DERIVATIVES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1991-05-30 WO disclosed