SCHEMBL31473328

SCHEMBL31473328

[2H]C([2H])([2H])C([2H])([2H])c1ccc(F)c(OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 5/20 0.44
▸ MAPT P10636 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ PTGER1 P34995 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ LIPE Q05469 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HTT P42858 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ S1PR5 Q9H228 1/20 0.38

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
SCHEMBL29703994 0.81 KDM1A (0.48) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL18787264 0.81 KDM1A (0.48) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL31473325 0.79 KDM1A (0.46) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL28182366 0.79 KDM1A (0.46) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL9454115 0.78 MRGPRX4 (0.46) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL3168485 0.78 CYP4F2 (0.51) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL31473340 0.78 MEN1 (0.41) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL18787256 0.78 KDM1A (0.45) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL28332769 0.77 KDM1A (0.44) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL17367259 0.76 MAPT (0.53) KDM1AMAPTMAPK1TDP1L3MBTL1

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
CN-119591604-A JAK inhibitor compounds and uses thereof 迈英诺医药科技(珠海)有限公司 2025-03-11 — — CN disclosed
WO-2025036296-A1 JAK INHIBITOR COMPOUND AND USE THEREOF 迈英诺医药科技(珠海)有限公司 2025-02-20 — — WO disclosed
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