SCHEMBL3835784

SCHEMBL3835784

Fc1ccc2[nH]c(CN3CCCC3)c(Sc3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.43
CHRNA7 P36544 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
LMNA P02545 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL9685065 0.85 MEN1 (0.54) CHRNA7TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL2350737 0.74 MAPT (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9684170 0.74 MEN1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5331577 0.72 MPO (0.48) ACHECHRNA7LMNADRD2DRD4
SCHEMBL3835082 0.69 HTR2A (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1615772 0.69 TP53 (0.45) ACHETUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1616034 0.68 DRD4 (0.48) LMNADRD2DRD4DRD3KDM4E
SCHEMBL1399278 0.66 IDO1 (0.55) CHRNA7LMNAMPOKDM4EHTR1A
SCHEMBL21465493 0.65 TUBB4A (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1399229 0.65 IDO1 (0.54) CHRNA7LMNAMPOKDM4ESMN1; SMN2

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
EP-1791537-B1 3-ARYLTHIOINDOLE-2-CARBOXAMIDE DERIVATIVES AND ANALOGS THEREOF AS INHIBITORS OF CASEIN KINASE I AVENTIS PHARMA INC (US) 2009-10-14 EP claimed