SCHEMBL30508337

SCHEMBL30508337

Brc1ccc2c(cnn2[C@@H]2CCNC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.40
KDM1A O60341 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
BRD4 O60885 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
PIM1 P11309 1/20 0.34
HTR6 P50406 2/20 0.34
HDAC1 Q13547 1/20 0.33
SRC P12931 2/20 0.33
BTK Q06187 2/20 0.33
LYN P07948 1/20 0.33
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL30508240 1.00 PRMT5 (0.40) PRMT5KDM1AMEN1ALDH1A1MAPT
SCHEMBL30450183 0.93 MEN1 (0.43) PRMT5KDM1AMEN1ALDH1A1MAPT
SCHEMBL10060682 0.93 MEN1 (0.43) PRMT5KDM1AMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL30508276 0.92 MEN1 (0.42) PRMT5KDM1AMEN1ALDH1A1MAPT
SCHEMBL13468 0.84 HDAC8 (0.39) HDAC8GPR119HTR2A
SCHEMBL19703386 0.83 MEN1 (0.42) PRMT5KDM1AMEN1ALDH1A1MAPT
SCHEMBL31757809 0.83 MEN1 (0.42) PRMT5KDM1AMEN1ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL26683826 0.81 HDAC8 (0.41) HDAC8GPR119HTR2A
SCHEMBL25045382 0.81 HTR7 (0.39) HDAC8GPR119HTR2A
SCHEMBL17678127 0.81 PDE9A (0.38) HDAC8GPR119HTR2A

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-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed