SCHEMBL31047280

SCHEMBL31047280

[2H]C([2H])(O)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
S1PR2 O95136 1/20 0.37
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
FFAR1 O14842 1/20 0.33
LOX P28300 1/20 0.31
LOXL3 P58215 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
POLB P06746 1/20 0.31
HSP90AB1 P08238 1/20 0.31

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
SCHEMBL904515 0.79 RECQL (0.54) RECQLS1PR2CYP2D6CYP2C19FFAR1
SCHEMBL31047279 0.75 S1PR2 (0.32) RECQLS1PR2LOXLOXL3LOXL2
SCHEMBL6987053 0.75 RECQL (0.40) RECQLS1PR2CYP2D6CYP2C19FFAR1
SCHEMBL190086 0.73 RECQL (0.41) RECQLS1PR2CYP2C19FFAR1LOX
Hydrochloric Acid SCHEMBL6869464 0.70 RECQL (0.39) RECQLS1PR2CYP2C19FFAR1LOX
SCHEMBL31047315 0.70
SCHEMBL30908293 0.69 NOS1 (0.36) RECQLCYP2C19
SCHEMBL2056128 0.69 SMN1; SMN2 (0.42) RECQLS1PR2CYP2C19LOXLOXL3
SCHEMBL855313 0.69 LOXL2 (0.54) RECQLS1PR2LOXLOXL3LOXL2
SCHEMBL5898392 0.69 S1PR2 (0.39) RECQLS1PR2CYP2C19FFAR1LOX

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
WO-2024193689-A1 PYRIDINOPYRROLE DERIVATIVE AND USE THEREOF IN DRUGS 广东东阳光药业股份有限公司 2024-09-26 WO disclosed
CN-118684665-A Pyridopyrrole derivatives and their use in medicine 广东东阳光药业股份有限公司 2024-09-24 CN disclosed