SCHEMBL31473340

SCHEMBL31473340

[2H]C([2H])([2H])C([2H])([2H])c1cc(OCc2ccccc2)c(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KDM1A O60341 6/20 0.40
▸ CCR5 P51681 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MRGPRX4 Q96LA9 2/20 0.39
▸ RAB9A P51151 2/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37

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
SCHEMBL29564439 0.83 MEN1 (0.44) MEN1KMT2AKDM1ACCR5MAPT
SCHEMBL17258686 0.83 MEN1 (0.44) MEN1KMT2AKDM1ACCR5MAPT
SCHEMBL21835660 0.80 MAPT (0.49) KDM1ACCR5MAPTMAPK1TDP1
SCHEMBL31473313 0.80 KDM1A (0.42) KDM1ACCR5MAPTMAPK1TDP1
SCHEMBL416139 0.78 KDM1A (0.48) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL31166845 0.78 RAB9A (0.49) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL31473328 0.78 KDM1A (0.44) MEN1KMT2AKDM1AMAPTMAPK1
SCHEMBL31495927 0.77 DGAT1 (0.38) KDM1AMAPTMAPK1TDP1L3MBTL1
SCHEMBL27262835 0.76 PTPN1 (0.47) MEN1KMT2AKDM1AMAPK1RAB9A
SCHEMBL20521874 0.75 KDM1A (0.48) 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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