SCHEMBL29071950

SCHEMBL29071950

COc1ccc(CNc2cc(Br)ccc2C(=O)C(C)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPT P10636 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ASPH Q12797 1/20 0.46
RIOX2 Q8IUF8 1/20 0.46
KDM8 Q8N371 1/20 0.46
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CD38 P28907 1/20 0.41
VNN1 O95497 1/20 0.41
FFAR1 O14842 1/20 0.40
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL26767103 0.92 GAA (0.49) MEN1KMT2AGAANPC1RAB9A
SCHEMBL31283173 0.84 KDM4E (0.44) MEN1KMT2AGAANPC1RAB9A
SCHEMBL3078231 0.84 MEN1 (0.54) MEN1KMT2AGAANPC1RAB9A
SCHEMBL3037620 0.82 GAA (0.49) MEN1KMT2AGAANPC1RAB9A
SCHEMBL27711221 0.82 MEN1 (0.51) MEN1KMT2AGAANPC1RAB9A
SCHEMBL937116 0.77 MEN1 (0.54) MEN1KMT2AGAANPC1RAB9A
SCHEMBL29396220 0.75 HDAC3 (0.45) MEN1KMT2AGAANPC1RAB9A
SCHEMBL15824736 0.73 MEN1 (0.59) MEN1KMT2AGAANPC1RAB9A
SCHEMBL9595061 0.73 KDM4E (0.64) MEN1KMT2AKDM4EASPHRIOX2
SCHEMBL28788200 0.71 L3MBTL1 (0.52) NPC1RAB9AL3MBTL1KDM4EASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739393-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS Merck Sharp & Dohme LLC (US) 2026-05-13 EP disclosed
WO-2025014788-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME LLC (US) 2025-01-16 WO disclosed
CN-116745269-A Dihydroquinazolin-2-one derivatives as selective cytotoxic agents for the treatment of HIV 默沙东有限责任公司 2023-09-12 CN disclosed
EP-4204413-A1 DIHYDROQUINAZOLIN-2-ONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS USEFUL IN THE TREATMENT OF HIV Merck Sharp & Dohme LLC (US) 2023-07-05 EP disclosed
WO-2022125412-A1 TETRAHYDROQUINAZOLINE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS MERCK SHARP & DOHME CORP. (US) 2022-06-16 WO disclosed
WO-2022046844-A1 DIHYDROQUINAZOLIN-2-ONE DERIVATIVES AS SELECTIVE CYTOTOXIC AGENTS USEFUL IN THE TREATMENT OF HIV MERCK SHARP & DOHME CORP. (US) 2022-03-03 WO disclosed