SCHEMBL4283086

SCHEMBL4283086

C=C(C(=O)Cl)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
HPGD P15428 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 1/20 0.59
ALDH1A1 P00352 1/20 0.59
EGFR P00533 1/20 0.59
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
JAK1 P23458 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
PTPN1 P18031 1/20 0.50

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
SCHEMBL3007215 0.84 KDM4E (0.63) KDM4EHPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL124455 0.82 KDM4E (0.61) KDM4EHPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL7913771 0.81 HPGD (0.59) KDM4EHPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL30060267 0.81 SMN1; SMN2 (0.59) KDM4EHPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL30924789 0.81 HPGD (0.59) KDM4EHPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL1380881 0.81 SMN1; SMN2 (0.59) KDM4EHPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL2154572 0.80 CES2 (0.76) KDM4EHPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL1225 0.79 CES2 (0.68) KDM4EHPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL30674399 0.79 CES2 (0.68) KDM4EHPGDSMN1; SMN2MEN1ALDH1A1
SCHEMBL7905175 0.79 CES2 (0.56) KDM4EHPGDSMN1; SMN2MEN1ALDH1A1

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
WO-2009131274-A1 SYNTHESIS OF PHOTOINITIATOR FREE REACTIVE MESOGENS BASED ON TRIPHENYLENE KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-10-29 WO disclosed