SCHEMBL29923473

SCHEMBL29923473

COC(=O)c1cc(Br)c2cc(OC)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 8/20 0.53
▸ BACE1 P56817 1/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ POLB P06746 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSB P07858 1/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL24916118 1.00 PLA2G2A (0.53) PLA2G2ABACE1KDM4EHSD17B10ALDH1A1
SCHEMBL16832843 0.84 PLA2G2A (0.69) PLA2G2ABACE1KDM4EHSD17B10ALDH1A1
SCHEMBL2910558 0.84 PLA2G2A (0.54) PLA2G2ABACE1KDM4EHSD17B10ALDH1A1
SCHEMBL28130384 0.83 KDM4E (0.68) PLA2G2ABACE1KDM4EHSD17B10ALDH1A1
SCHEMBL1694287 0.81 KDM4E (0.52) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL32681649 0.81 KDM4E (0.52) KDM4EHSD17B10ALDH1A1HPGDPOLB
SCHEMBL28559497 0.80 PLA2G2A (0.62) PLA2G2AKDM4EALDH1A1NPSR1MEN1
SCHEMBL13234529 0.79 KCNH2 (0.51) PLA2G2ABACE1KDM4EHSD17B10ALDH1A1
SCHEMBL28491584 0.78 GRM2 (0.57) PLA2G2ABACE1KDM4EHSD17B10ALDH1A1
SCHEMBL28130383 0.77 PLA2G2A (0.67) PLA2G2AKDM4EHSD17B10ALDH1A1HPGD

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
EP-4055013-A1 WDR5 INHIBITORS AND MODULATORS Vanderbilt University (US) 2022-09-14 — — EP disclosed
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