SCHEMBL30891765

SCHEMBL30891765

COc1ccc2nc(OCc3ccccc3)nc(-c3ccc([N+](=O)[O-])cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
OPRK1 P41145 1/20 0.45
PLTP P55058 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
ABCG2 Q9UNQ0 3/20 0.44
MEN1 O00255 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
PSD A5PKW4 1/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 2/20 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
SCHEMBL30891803 0.84 KMT2A (0.43) NQO2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL7499766 0.78 ALDH1A1 (0.51) NQO2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL30394041 0.76 MAPT (0.55) NQO2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL26101213 0.74 ABCG2 (0.53) MAPTALDH1A1KMT2AKDM4EHPGD
SCHEMBL6471210 0.74 EGFR (0.50) NQO2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL3469115 0.74 CASR (0.43) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL27002986 0.72 PLTP (0.45) NQO2MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL11472886 0.71 PRNP (0.51) MAPTALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL2081746 0.70 MAPT (0.71) MAPTALDH1A1KMT2ASMN1; SMN2CTSV
SCHEMBL27102191 0.70 MAOB (0.62) MAPTALDH1A1KMT2AMEN1LMNA

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-118201909-A Quinazoline derivative compound and use thereof 株式会社沃若诺伊 2024-06-14 CN disclosed