SCHEMBL17225910

SCHEMBL17225910

O=C1CC(c2ccc(O)cc2)SC(c2ccc(O)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 15/20 0.52
ESR1 P03372 6/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP19A1 P11511 3/20 0.37
CYP3A4 P08684 3/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
YES1 P07947 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 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
SCHEMBL17225369 0.79 MAPT (0.41) MEN1KMT2AKDM4EMAPTGSK3B
SCHEMBL24306021 0.79 TP53 (0.45) MEN1KMT2AKDM1AKDM4EMAPT
SCHEMBL9620277 0.79 SMN1; SMN2 (0.41) MEN1KMT2AKDM4ECYP3A4MAPT
SCHEMBL4877147 0.78 GAA (0.48) MEN1KMT2AKDM1AKDM4ECYP3A4
SCHEMBL11971115 0.75 DDB1 (0.41) KMT2AKDM4ECYP19A1NPC1MAPT
SCHEMBL1494248 0.75 DDB1 (0.41) KMT2AKDM4ECYP19A1NPC1MAPT
SCHEMBL1494251 0.75 DDB1 (0.41) KMT2AKDM4ECYP19A1NPC1MAPT
SCHEMBL11971110 0.75 DDB1 (0.41) KMT2AKDM4ECYP19A1NPC1MAPT
SCHEMBL11971251 0.75 MAP2K1 (0.53) MEN1KMT2AKDM1ACYP19A1CYP3A4
SCHEMBL11971054 0.75 MAP2K1 (0.53) MEN1KMT2AKDM1ACYP19A1CYP3A4

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
US-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed