SCHEMBL22505237

SCHEMBL22505237

O=C1OC(c2cccs2)=N/C1=C\c1ccc(Br)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 8/20 0.49
MAPT P10636 8/20 0.49
ALDH1A1 P00352 7/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 1/20 0.49
MEN1 O00255 6/20 0.48
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 3/20 0.47
PLA2G1B P04054 1/20 0.47
BLM P54132 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
GAA P10253 1/20 0.47
NOTUM Q6P988 2/20 0.46
MASP2 O00187 1/20 0.46
F2 P00734 1/20 0.46
PLCG2 P16885 1/20 0.46
LMNA P02545 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL29517901 1.00 KDM4E (0.55) KDM4EKMT2AMAPTALDH1A1POLB
SCHEMBL24241565 0.85 KDM4E (0.59) KDM4EKMT2AMAPTALDH1A1POLB
SCHEMBL29518104 0.85 KDM4E (0.59) KDM4EKMT2AMAPTALDH1A1POLB
SCHEMBL24241756 0.85 KDM4E (0.55) KDM4EKMT2AMAPTALDH1A1POLB
SCHEMBL3503107 0.84 KMT2A (0.65) KDM4EKMT2AMAPTALDH1A1POLB
SCHEMBL3503106 0.84 KMT2A (0.65) KDM4EKMT2AMAPTALDH1A1POLB
SCHEMBL6873085 0.84 KMT2A (0.65) KDM4EKMT2AMAPTALDH1A1POLB
SCHEMBL22505125 0.79 KDM4E (0.49) KDM4EKMT2AMAPTALDH1A1POLB
SCHEMBL29518304 0.79 KDM4E (0.49) KDM4EKMT2AMAPTALDH1A1POLB
SCHEMBL24534816 0.78 KDM4E (0.51) KDM4EKMT2AMAPTALDH1A1POLB

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-3949963-A1 NOVEL COMPOUND AND COMPOSITION FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASES COMPRISING SAME AS ACTIVE INGREDIENT Yonsei University, University-Industry Foundation(UIF). (KR) 2022-02-09 EP disclosed
WO-2020204602-A1 NOVEL COMPOUND AND COMPOSITION FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASES COMPRISING SAME AS ACTIVE INGREDIENT 연세대학교 산학협력단 2020-10-08 WO disclosed