SCHEMBL28697696

SCHEMBL28697696

O=CC1CCC(c2ccc(Br)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TRPV6 Q9H1D0 1/20 0.36
HDAC2 Q92769 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
HDAC4 P56524 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
FDFT1 P37268 1/20 0.31
CHRNA7 P36544 1/20 0.31
DDB1 Q16531 1/20 0.30

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
Hydrochloric Acid SCHEMBL28697863 0.98 KDM4E (0.36) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL1655533 0.86 TRPV6 (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL29909305 0.86 TRPV6 (0.42) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL6853901 0.78 HDAC2 (0.43) HDAC2JAK2JAK1TYK2JAK3
SCHEMBL25702645 0.77 KDM4E (0.54) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL6665053 0.77 HDAC2 (0.41) HDAC2
SCHEMBL28697825 0.76 DGAT1 (0.43) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL29368860 0.76 PSMB5 (0.36) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL21819234 0.76 PSMB5 (0.36) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL21819236 0.76 PSMB5 (0.36) KDM4EGLAHTTKMT2ASMN1; SMN2

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-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed