SCHEMBL28615007

SCHEMBL28615007

Cc1ccc(O)c([C@@H](C[N+](=O)[O-])c2ccc(F)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 6/20 0.44
LMNA P02545 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CHRM2 P08172 2/20 0.42
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
HRH1 P35367 2/20 0.42
ESR1 P03372 1/20 0.42
CHRM4 P08173 1/20 0.42
KCNE1 P15382 1/20 0.42
PTGS1 P23219 1/20 0.42
HRH2 P25021 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL28615010 1.00 KMT2A (0.48) KMT2AMEN1POLBMAPTLMNA
SCHEMBL28619014 0.92 MAPT (0.49) KMT2AMEN1POLBMAPTLMNA
SCHEMBL28619015 0.92 MAPT (0.49) KMT2AMEN1POLBMAPTLMNA
SCHEMBL28606575 0.88 MAPT (0.54) KMT2AMEN1POLBMAPTLMNA
SCHEMBL28606573 0.88 MAPT (0.54) KMT2AMEN1POLBMAPTLMNA
SCHEMBL28606656 0.87 MAPT (0.46) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL28606655 0.87 MAPT (0.46) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL28181504 0.85 MAPT (0.49) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL28181502 0.85 MAPT (0.49) KMT2AMEN1MAPTLMNAKDM4E
SCHEMBL28180769 0.81 CNR1 (0.47) KMT2AMEN1POLBMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107188771-B Chiral synthesis method of gamma-nitrophenol compound 浙江工业大学 2021-08-24 CN disclosed
CN-107188771-A Chiral synthesis method of gamma-nitrophenol compound 浙江工业大学 2017-09-22 CN disclosed