SCHEMBL28724738

SCHEMBL28724738

O=S(=O)(Nc1noc2ccccc12)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
KAT6A Q92794 1/20 0.53
BRD4 O60885 1/20 0.50
EPHX2 P34913 3/20 0.49
EDNRB P24530 3/20 0.48
EDNRA P25101 3/20 0.48
IL1RN P18510 1/20 0.46
KEAP1 Q14145 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
RECQL P46063 1/20 0.45
CCNT1 O60563 1/20 0.45
CDK9 P50750 1/20 0.45
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNA5 P22460 1/20 0.44
G6PD P11413 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL29652584 0.91 KMT2A (0.62) KMT2AKAT6ABRD4EPHX2EDNRB
SCHEMBL21609232 0.91 KMT2A (0.62) KMT2AKAT6ABRD4EPHX2EDNRB
SCHEMBL21609230 0.87 KMT2A (0.61) KMT2AKAT6ABRD4EPHX2EDNRB
SCHEMBL29652523 0.87 KMT2A (0.61) KMT2AKAT6ABRD4EPHX2EDNRB
SCHEMBL21641915 0.84 KMT2A (0.61) KMT2AKAT6ACCNT1CDK9SMN1; SMN2
SCHEMBL29652512 0.83 KMT2A (0.66) KMT2AKAT6AEPHX2SMN1; SMN2LMNA
SCHEMBL21641925 0.83 KMT2A (0.66) KMT2AKAT6AEPHX2SMN1; SMN2LMNA
SCHEMBL21641931 0.82 KMT2A (0.65) KMT2AKAT6AEDNRBEDNRACCNT1
SCHEMBL29652492 0.82 KMT2A (0.65) KMT2AKAT6AEDNRBEDNRACCNT1
SCHEMBL21641913 0.81 KMT2A (0.61) KMT2AKAT6ABRD4EPHX2CCNT1

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-114364672-A Benzisoxazole sulfonamide derivatives 辉瑞大药厂 2022-04-15 CN disclosed