SCHEMBL30488581

SCHEMBL30488581

O=[N+]([O-])c1cnc2ccsc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
TDP1 Q9NUW8 2/20 0.37
PDPK1 O15530 1/20 0.37
PARP1 P09874 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
PIN1 Q13526 7/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35

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
SCHEMBL3548733 1.00 AXL (0.42) AXLMKNK1MKNK2TDP1PDPK1
SCHEMBL9837779 0.81 ALDH1A1 (0.45) AXLMKNK1MKNK2PDPK1PARP1
SCHEMBL3544906 0.81 GPR35 (0.39) AXLMKNK1MKNK2TDP1PDPK1
SCHEMBL17305955 0.81 PDPK1 (0.40) AXLMKNK1MKNK2TDP1PDPK1
SCHEMBL3543082 0.77 POLB (0.37) TDP1PDPK1PARP1MAPTALDH1A1
SCHEMBL30598786 0.77 POLB (0.37) TDP1PDPK1PARP1MAPTALDH1A1
SCHEMBL9836323 0.75 TDP1 (0.38) TDP1MAPTALDH1A1KMT2AKDM4E
SCHEMBL31484406 0.74 DYRK1A (0.39) AXLMKNK1MKNK2TDP1MAPT
SCHEMBL28471596 0.74 PDE4A (0.40) MAPTALDH1A1
SCHEMBL15655816 0.73 GSK3B (0.48) TDP1MAPTALDH1A1KMT2AKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118829451-A Antibody drug conjugate, pharmaceutical composition and application thereof 四川科伦博泰生物医药股份有限公司 2024-10-22 CN disclosed
WO-2024041586-A1 PRODRUG OF JAK KINASE INHIBITOR 启元生物(杭州)有限公司 2024-02-29 WO disclosed
CN-117263952-A Condensed-cyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-12-22 CN disclosed
CN-111836814-B Condensed-cyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-10-20 CN disclosed
CN-116410317-A Antibody-drug conjugate, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-07-11 CN disclosed