SCHEMBL30635491

SCHEMBL30635491

FC(F)(F)Oc1ccc(NCc2cnc(N3CCCCC3)nc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ BACE1 P56817 1/20 0.49
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ APP P05067 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ SNCA P37840 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ EPHX2 P34913 1/20 0.44
▸ GALR2 O43603 2/20 0.44
▸ GALR1 P47211 1/20 0.44

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
SCHEMBL30635494 0.84 CACNA1B (0.50) MAPTBACE1MEN1KMT2AKDM4E
SCHEMBL3053519 0.82 CACNA1B (0.47) MAPTMEN1KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL4738978 0.81 CACNA1B (0.46) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL14503259 0.78 BACE1 (0.62) MAPTBACE1MEN1KMT2AKDM4E
SCHEMBL22279044 0.72 CACNA1B (0.48) MAPTKDM4EGAAALDH1A1ALOX15
SCHEMBL14503014 0.72 GALR2 (0.61) MAPTBACE1MEN1KMT2AGAA
SCHEMBL23419098 0.71 HRH3 (0.56) MEN1KMT2AGAAMAPK1EPHX2
SCHEMBL5208161 0.71 HDAC1 (0.55) MAPTMEN1KMT2AEPHX2HTT
SCHEMBL3641183 0.71 CTNNB1 (0.59) MAPTBACE1MEN1KMT2AKDM4E
SCHEMBL10143797 0.70 GALR2 (0.83) BACE1LMNATP53THRBGALR2

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-2023229380-A1 HETEROCYCLIC COMPOUND AS DIACYLGLYCEROL KINASE INHIBITOR AND USE THEREOF 주식회사 엘지화학 2023-11-30 — — WO disclosed
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