SCHEMBL28111933

SCHEMBL28111933

N=C(NO)c1ccc(/C=C/c2cc(O)c(O)cc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.59
NFE2L2 Q16236 4/20 0.40
PTPN1 P18031 2/20 0.38
SNCA P37840 1/20 0.38
HDAC1 Q13547 3/20 0.38
PRMT5 O14744 1/20 0.37
PRMT1 Q99873 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAD52 P43351 1/20 0.35
UBE2N P61088 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL28111445 0.83 KDM1A (0.61) KDM1APTPN1SNCAPRMT5PRMT1
SCHEMBL28836345 0.79 LCK (0.61) KDM1APTPN1SNCAALDH1A1HPGD
SCHEMBL28111408 0.75 KDM1A (0.58) KDM1ANFE2L2
SCHEMBL28111407 0.75 KDM1A (0.58) KDM1ANFE2L2
SCHEMBL28111935 0.75 KDM1A (1.00) KDM1ANFE2L2HTR2AHTR2CKCNH2
SCHEMBL20580082 0.70 SNCA (0.46) KDM1ASNCAHDAC1HSD17B10KDM4E
SCHEMBL28111532 0.68 KDM1A (0.56) KDM1APTPN1ALDH1A1HPGDHSD17B10
SCHEMBL12348299 0.67 HSD17B10 (0.36) HDAC1PRMT5PRMT1ALDH1A1HPGD
SCHEMBL6377504 0.67 HDAC6 (0.57) PTPN1SNCAKDM4EPOLBMAPT
SCHEMBL193570 0.66 CES2 (0.44) PTPN1HDAC1

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-106045881-A Resveratrol derivative, preparation method thereof and application of resveratrol derivative serving as LSD1 inhibitor 新乡医学院 2016-10-26 CN disclosed