SCHEMBL19985947

SCHEMBL19985947

c1ccc2c(c1)oc1cc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6sc5c43)ccc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.36
AHR P35869 2/20 0.34
MAPT P10636 5/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
PTGER4 P35408 1/20 0.33
ESR1 P03372 1/20 0.32
TP53 P04637 2/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL17228972 0.94 ESR2 (0.36) ESR2AHRMAPTMEN1KMT2A
SCHEMBL19985926 0.93 MAPT (0.34) ESR2AHRMAPTMEN1KMT2A
SCHEMBL19985959 0.91 ESR2 (0.33) ESR2AHRMAPTMEN1KMT2A
SCHEMBL17297486 0.90 ESR2 (0.36) ESR2AHRMAPTMEN1KMT2A
SCHEMBL19985911 0.90 PRKDC (0.33) ESR2AHRMAPTTP53RXFP1
SCHEMBL17228979 0.89 ESR2 (0.36) ESR2AHRMAPTMEN1KMT2A
SCHEMBL17228965 0.87 MAPT (0.35) ESR2AHRMAPTMEN1KMT2A
SCHEMBL17405417 0.87 MAPT (0.35) ESR2AHRMAPTMEN1KMT2A
SCHEMBL17405705 0.87 MAPT (0.35) ESR2AHRMAPTMEN1KMT2A
SCHEMBL19985975 0.87 KDM4E (0.32) ESR2MAPTMEN1KMT2AKDM4E

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
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed