SCHEMBL30567663

SCHEMBL30567663

O=C(O)c1sc(-c2ccc(OC(F)F)nc2)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ TARBP2 Q15633 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ PTGES O14684 10/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ XDH P47989 2/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ DBF4 Q9UBU7 1/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33

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
SCHEMBL25410828 1.00 RAB9A (0.41) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL29631171 0.84 KDM4E (0.47) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL20894654 0.84 KDM4E (0.47) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL26847405 0.80 PIK3CD (0.36) RAB9AGAAPTGESPIK3CDPIK3CA
SCHEMBL29631044 0.77 RAB9A (0.54) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL20894119 0.77 RAB9A (0.54) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL30567657 0.76 RAB9A (0.44) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL25407809 0.76 RAB9A (0.44) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL3745235 0.72 MKNK1 (0.43) RAB9AKDM4ESMN1; SMN2NPC1POLB
SCHEMBL14141917 0.70 CYP1A2 (0.57) RAB9AKDM4ESMN1; SMN2NPC1POLB

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-116615425-A Compounds and compositions as Sppl2a inhibitors 诺华股份有限公司 2023-08-18 — — CN disclosed
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