SCHEMBL29134496

SCHEMBL29134496

COc1cc(Br)ccc1C1(N=[N+]=[N-])COC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PDE2A O00408 1/20 0.31
RAB9A P51151 2/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL30956756 0.74 PRKAB2 (0.43) MEN1NPC1KMT2AKDM4EPOLB
SCHEMBL30014820 0.74 KDM4E (0.37) MEN1NPC1KMT2AKDM4EPOLB
SCHEMBL29134375 0.74 KDM4E (0.37) MEN1NPC1KMT2AKDM4EPOLB
SCHEMBL15300869 0.74 PRKAB2 (0.43) MEN1NPC1KMT2AKDM4EPOLB
SCHEMBL4573426 0.66 ALDH1A1 (0.42) MEN1NPC1KMT2AKDM4ETDP1
SCHEMBL31014541 0.66
SCHEMBL16697716 0.65 TUBB4A (0.41) MEN1NPC1KMT2AKDM4EPOLB
SCHEMBL19330958 0.64 MEN1 (0.32) MEN1KMT2AKDM4ETDP1ALDH1A1
SCHEMBL19869930 0.64 PYCR1 (0.40) MEN1KMT2AKDM4EPOLBTDP1
SCHEMBL15301004 0.63 SIGMAR1 (0.44) KDM4ETDP1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4681774-A2 KHK INHIBITORS Gilead Sciences, Inc. (US) 2026-01-21 EP disclosed
EP-4313967-B1 KHK INHIBITORS GILEAD SCIENCES INC (US) 2025-11-12 EP disclosed
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed