SCHEMBL21972685

SCHEMBL21972685

Oc1ccc(-c2ccc(-c3ccc(C4c5c(c6ccccc6c6ccccc56)Oc5c4c4ccccc4c4ccccc54)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
KDM1A O60341 1/20 0.39
ESR1 P03372 3/20 0.37
ACHE P22303 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TNKS O95271 1/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR2 Q92731 2/20 0.35
PTPN1 P18031 2/20 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
SCHEMBL21971755 0.90 KDM1A (0.40) MEN1KMT2AALDH1A1KDM1ATDP1
SCHEMBL21972686 0.85 TAAR1 (0.45) MEN1KMT2AKDM4EALDH1A1KDM1A
SCHEMBL21971757 0.84 TP53 (0.39) KDM4EALDH1A1HTTKDM1AACHE
SCHEMBL21971736 0.82 ALDH1A1 (0.38) KDM4EALDH1A1LMNAKDM1ANPC1
SCHEMBL21971030 0.82 ACHE (0.33) KDM4EKDM1AESR1ACHETDP1
SCHEMBL21971699 0.82 KDM1A (0.33) KDM4EKDM1AESR1ACHETDP1
SCHEMBL21971029 0.82 ALDH1A1 (0.34) ALDH1A1KDM1A
SCHEMBL21971768 0.81 ESR1 (0.41) KDM1AESR1ESR2HSD17B1HSD17B2
SCHEMBL21971123 0.81 ESR1 (0.41) KDM1AESR1ESR2HSD17B1HSD17B2
SCHEMBL21972687 0.81 ALDH1A1 (0.37) KDM4EALDH1A1LMNAKDM1ANPC1

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
US-20200144518-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-05-07 US disclosed