SCHEMBL28111445

SCHEMBL28111445

N=C(NO)c1ccc(/C=C/c2cc(O)c(O)cc2Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.61
MAPT P10636 2/20 0.47
SNCA P37840 1/20 0.47
NPC1 O15118 1/20 0.46
MTOR P42345 1/20 0.46
BACE1 P56817 2/20 0.43
APP P05067 4/20 0.39
PRMT5 O14744 1/20 0.38
PRMT1 Q99873 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTPN1 P18031 1/20 0.38
TRPA1 O75762 1/20 0.38
LCK P06239 2/20 0.36
IGF1R P08069 1/20 0.36
NQO2 P16083 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL28111933 0.83 KDM1A (0.59) KDM1AMAPTSNCAPRMT5PRMT1
SCHEMBL28836345 0.80 LCK (0.61) KDM1AMAPTSNCANPC1MTOR
SCHEMBL28111394 0.76 KDM1A (0.58) KDM1AMAPTSNCANPC1MTOR
SCHEMBL28111395 0.76 KDM1A (0.58) KDM1AMAPTSNCANPC1MTOR
SCHEMBL31236624 0.76 KDM1A (1.00) KDM1AMAPTSNCANPC1MTOR
SCHEMBL28111447 0.76 KDM1A (1.00) KDM1AMAPTSNCANPC1MTOR
SCHEMBL28111532 0.69 KDM1A (0.56) KDM1AMAPTNPC1MTORALDH1A1
SCHEMBL12348299 0.69 HSD17B10 (0.36) PRMT5PRMT1ALDH1A1HPGDCYP2C19
SCHEMBL6377504 0.68 HDAC6 (0.57) MAPTSNCAAPPPTPN1KDM4E
SCHEMBL1226703 0.66 ALDH1A1 (0.48) KDM1APRMT5PRMT1ALDH1A1HPGD

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