SCHEMBL28678706

SCHEMBL28678706

CCn1c(=O)c(C(=O)O)c(O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.52
ALDH1A1 P00352 2/20 0.50
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
HTT P42858 1/20 0.44
FEN1 P39748 1/20 0.43
PLA2G2A P14555 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL4455129 0.81 KDM4E (0.64) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL28519313 0.80 ALDH1A1 (0.58) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL28677828 0.79 ALDH1A1 (0.75) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL28511432 0.79 ALDH1A1 (0.54) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL148001 0.78 MAPT (0.85) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL29539965 0.78 MAPT (0.85) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL16516273 0.77 MAPT (0.58) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL22463722 0.77 EGFR (0.54) KMT2AMEN1MAPTLMNAALDH1A1
SCHEMBL28511846 0.77 KDM4E (0.68) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL7999867 0.76 CYP1A2 (0.57) KMT2AMEN1MAPTLMNACYP1A2

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
CN-110041306-B 4-hydroxy-2-quinolone-N- (4-quinazolinone) -3-carboxamide derivatives 中国医学科学院药物研究所 2022-01-11 CN disclosed