SCHEMBL24400581

SCHEMBL24400581

NCc1ccc(Oc2cnc(C(F)(F)F)nc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ MAOB P27338 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ LIPE Q05469 1/20 0.37
▸ LOXL2 Q9Y4K0 6/20 0.36
▸ LOX P28300 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL4373280 0.83 ST14 (0.52) MAOBLOXL2LOX
SCHEMBL24400400 0.82 LOXL2 (0.40) THRBMAPK1MAOBLIPELOXL2
Hydrochloric Acid SCHEMBL1713787 0.81 MAOB (0.50) MAOBLOXL2LOX
SCHEMBL24401106 0.78 HPGD (0.51) THRBMAPK1MAOBPOLBL3MBTL1
SCHEMBL8310340 0.77 ALDH1A1 (0.64) THRBMAPK1MAOBALDH1A1POLB
SCHEMBL24400591 0.77 L3MBTL1 (0.45) THRBMAPK1MAOBALDH1A1POLB
SCHEMBL4380974 0.76 MEN1 (0.63) MAOBALDH1A1L3MBTL1LOXL2KDM4E
SCHEMBL30744447 0.76 MEN1 (0.63) MAOBALDH1A1L3MBTL1LOXL2KDM4E
SCHEMBL5659053 0.76 LOXL2 (0.44) MAOBLOXL2LOX
SCHEMBL3890599 0.76 L3MBTL1 (0.53) MAPK1MAOBALDH1A1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4238974-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND Adlai Nortye Biopharma Co., Ltd. (CN) 2023-09-06 — — EP disclosed
WO-2022089454-A1 HIGH-ACTIVITY WNT PATHWAY INHIBITOR COMPOUND 杭州阿诺生物医药科技有限公司 2022-05-05 — — WO disclosed
Send feedback