SCHEMBL30883124

SCHEMBL30883124

COC(=O)Cc1ccc(F)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.45
PKM P14618 1/20 0.44
HSP90AB1 P08238 1/20 0.40
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
EGFR P00533 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL909006 1.00 P2RX7 (0.45) P2RX7PKMHSP90AB1KMT2ASMN1; SMN2
SCHEMBL19925456 0.87 SMN1; SMN2 (0.42) P2RX7PKMHSP90AB1KMT2ASMN1; SMN2
SCHEMBL712034 0.84 PTGS2 (0.45) P2RX7PKMKMT2AMEN1ALDH1A1
SCHEMBL5383644 0.84 PKM (0.42) P2RX7PKMKMT2AALDH1A1KDM4E
SCHEMBL14186623 0.83 GAA (0.46) HSP90AB1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3967997 0.83 SMN1; SMN2 (0.48) P2RX7PKMHSP90AB1SMN1; SMN2ALDH1A1
SCHEMBL30106457 0.83 HPGD (0.42) HSP90AB1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL10833911 0.83 HPGD (0.42) HSP90AB1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL29836179 0.83 SMN1; SMN2 (0.48) P2RX7PKMHSP90AB1SMN1; SMN2ALDH1A1
SCHEMBL14354579 0.81 ALDH1A1 (0.53) PKMHSP90AB1KMT2ASMN1; SMN2HDAC1

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-119730853-A MTA synergistic PRMT5 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2025-03-28 CN disclosed
CN-117916241-A Spiro compounds 阿斯利康(瑞典)有限公司 2024-04-19 CN disclosed