SCHEMBL19916956

SCHEMBL19916956

c1ccc(-c2nc(-c3cccc(-c4ccc5c(c4)Oc4c(ccc6ccccc46)O5)c3)nc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ ATM Q13315 1/20 0.46
▸ CYP1A2 P05177 9/20 0.38
▸ CYP3A4 P08684 9/20 0.38
▸ CYP2D6 P10635 8/20 0.38
▸ CYP2C19 P33261 7/20 0.38
▸ HSD17B10 Q99714 7/20 0.38
▸ LMNA P02545 6/20 0.38
▸ USP2 O75604 5/20 0.38
▸ MAPK1 P28482 5/20 0.38
▸ ALOX15 P16050 4/20 0.38
▸ CLK4 Q9HAZ1 4/20 0.38
▸ CYP2C9 P11712 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ WHR1 P49842 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ TP53 P04637 3/20 0.38
▸ NUDT1 P36639 3/20 0.36
▸ ADORA2A P29274 2/20 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
SCHEMBL19916966 0.88 HSD17B10 (0.38) MEN1KMT2AATMCYP1A2CYP3A4
SCHEMBL19916971 0.88 HSD17B10 (0.38) MEN1KMT2AATMCYP1A2CYP3A4
SCHEMBL19917031 0.88 HSD17B10 (0.38) MEN1KMT2AATMCYP1A2CYP3A4
SCHEMBL19916977 0.88 HSD17B10 (0.38) MEN1KMT2AATMCYP1A2CYP3A4
SCHEMBL19916967 0.87 HSD17B10 (0.37) MEN1KMT2AATMCYP1A2CYP3A4
SCHEMBL19916926 0.81 MEN1 (0.42) MEN1KMT2AATMCYP2C19HSD17B10
SCHEMBL19917059 0.81 MEN1 (0.42) MEN1KMT2AATMCYP2C19HSD17B10
SCHEMBL24084022 0.78 MEN1 (0.66) MEN1KMT2AATMCYP1A2CYP3A4
SCHEMBL18503954 0.78 MEN1 (0.66) MEN1KMT2AATMCYP1A2CYP3A4
SCHEMBL20932278 0.78 MEN1 (0.43) MEN1KMT2AATMCYP1A2CYP3A4

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-2018038464-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2018-03-01 — — WO disclosed
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