SCHEMBL4753323

SCHEMBL4753323

Cc1onc(-c2ccccc2)c1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
USP2 O75604 1/20 0.57
KMT2A Q03164 4/20 0.56
KDM4E B2RXH2 4/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 1/20 0.55
TSHR P16473 2/20 0.54
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.54
TP53 P04637 1/20 0.54
MAPT P10636 1/20 0.52

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
SCHEMBL15391489 0.81 LMNA (0.73) POLBHTTSMN1; SMN2USP2KMT2A
SCHEMBL13734448 0.79 LMNA (0.59) POLBHTTSMN1; SMN2USP2KMT2A
SCHEMBL13732783 0.76 NPC1 (0.61) POLBHTTSMN1; SMN2USP2KMT2A
SCHEMBL13734349 0.76 NPC1 (0.61) POLBHTTSMN1; SMN2USP2KMT2A
SCHEMBL899466 0.76 ALDH1A1 (0.62) POLBHTTSMN1; SMN2USP2KMT2A
SCHEMBL13734751 0.75 LMNA (0.59) POLBHTTSMN1; SMN2USP2KMT2A
SCHEMBL13734464 0.75 LMNA (0.59) POLBHTTSMN1; SMN2USP2KMT2A
SCHEMBL1432330 0.75 SMN1; SMN2 (0.72) POLBHTTSMN1; SMN2KMT2AKDM4E
SCHEMBL13736715 0.74 ALDH1A1 (0.76) POLBHTTSMN1; SMN2USP2KMT2A
SCHEMBL899616 0.74 TSHR (0.66) POLBHTTSMN1; SMN2USP2KMT2A

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-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO claimed
WO-2008147864-A2 METHODS OF USING PIPERAZINE COMPOUNDS IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-12-04 WO disclosed