SCHEMBL28445077

SCHEMBL28445077

COC(=O)c1cc2nsnc2cc1CBr

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.37
▸ MAPT P10636 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ GAA P10253 5/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ KDM4E B2RXH2 7/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ LMNA P02545 3/20 0.36
▸ ATM Q13315 2/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ TDP2 O95551 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL257285 0.83 KDM4E (0.44) KMT2AMAPTMEN1GAANPC1
SCHEMBL19691966 0.81 ALDH1A1 (0.44) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL16512963 0.78 ALDH1A1 (0.42) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL21712348 0.77 CA12 (0.49) KMT2AMAPTMEN1GAANPC1
SCHEMBL29009066 0.77 MEN1 (0.40) KMT2AMAPTMEN1GAANPC1
SCHEMBL28451735 0.77 NPC1 (0.41) KMT2AMAPTMEN1GAANPC1
SCHEMBL21712220 0.76 GAA (0.49) KMT2AMAPTMEN1GAANPC1
SCHEMBL28447536 0.76 L3MBTL1 (0.51) KMT2AMAPTMEN1RAB9AKDM4E
SCHEMBL1855577 0.74 ALDH1A1 (0.44) KMT2AMAPTGAAKDM4EALDH1A1
SCHEMBL27974 0.73 DPP4 (0.41) MAPTGAASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111606928-A Azacyclodiketone compound and preparation method thereof 维清生物科技(上海)有限公司 2020-09-01 — — CN disclosed
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