SCHEMBL3683328

SCHEMBL3683328

Cc1ccc(C)c(CC(=O)NC(=S)C2CCNCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2D6 P10635 1/20 0.45
HSP90AA1 P07900 1/20 0.41
UBE2N P61088 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
PARP14 Q460N5 1/20 0.38
GAA P10253 1/20 0.36
P2RX7 Q99572 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MDM2 Q00987 1/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL3681473 0.88 CHRM1 (0.44) MEN1KMT2ACYP2D6P2RX7SLC6A2
SCHEMBL3688675 0.75 CHRM1 (0.43) RAB9ANPC1P2RX7SLC6A2SLC6A4
SCHEMBL19574651 0.70 NPC1 (0.49) MEN1KMT2ARAB9ANPC1PARP14
SCHEMBL3800845 0.70 MEN1 (0.37) MEN1KMT2ACYP2D6HSP90AA1UBE2N
SCHEMBL22372868 0.69 MEN1 (0.41) MEN1KMT2ACYP2D6GAASLC6A2
SCHEMBL30545023 0.69 NPC1 (0.48) MEN1KMT2ARAB9ANPC1PARP14
SCHEMBL22800944 0.68 POLB (0.48) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL17087832 0.67 HSD17B10 (0.64) MEN1KMT2AKDM4EHTT
SCHEMBL15297063 0.67 LMNA (0.47) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL5817988 0.66 GNAI3 (0.39) MEN1KMT2ACYP2D6GAASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP claimed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO claimed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO disclosed