SCHEMBL30626656

SCHEMBL30626656

O=c1[nH]nnn1Cc1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
XDH P47989 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GPR55 Q9Y2T6 1/20 0.43
CYP11B1 P15538 1/20 0.43
ADRA2C P18825 1/20 0.43
CYP11B2 P19099 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.42
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA2 P00918 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
CYP19A1 P11511 2/20 0.40
POLB P06746 1/20 0.40
PARP1 P09874 1/20 0.39
KCNN4 O15554 1/20 0.39

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
SCHEMBL27153840 1.00 IDO1 (0.50) IDO1TDO2XDHMEN1KMT2A
SCHEMBL5905968 0.80 IDO1 (0.49) IDO1TDO2MEN1KMT2ASMN1; SMN2
SCHEMBL22206486 0.73 CYP11B1 (0.47) IDO1TDO2XDHMEN1KMT2A
SCHEMBL5906231 0.72 LMNA (0.44) TDO2MEN1KMT2ATDP1POLB
SCHEMBL20599778 0.71 DAO (0.36) IDO1TDO2MEN1KMT2ASMN1; SMN2
SCHEMBL5906391 0.71 PKM (0.46) IDO1TDO2MEN1KMT2ASMN1; SMN2
SCHEMBL22564074 0.70 MGLL (0.46) MEN1KMT2A
SCHEMBL11518915 0.68 MAPT (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL7660286 0.68 MAPT (0.46) IDO1TDO2MEN1KMT2AGPR55
SCHEMBL29922845 0.68 CMA1 (0.51) MEN1KMT2A

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-117203205-A Triazolone, tetrazolone and imidazolone or salts thereof, and pharmaceutical compositions containing the same 柳韩洋行 2023-12-08 CN disclosed