SCHEMBL4857441

SCHEMBL4857441

CC(C)(C)c1ccc(C(=O)N2CCN(Cc3cccnc3NCc3ccccc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 2/20 0.56
ABL1 P00519 1/20 0.51
BCR P11274 1/20 0.51
SLC6A7 Q99884 1/20 0.51
SIGMAR1 Q99720 1/20 0.50
MAPK10 P53779 3/20 0.48
TRPV1 Q8NER1 1/20 0.47
PRKAA2 P54646 1/20 0.47
MAPK1 P28482 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4753126 0.83 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL17886713 0.76 ALDH1A1 (0.72) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL13982579 0.76 KDM4E (0.52) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL17886724 0.75 MEN1 (0.74) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4751009 0.75 APP (0.50) ALDH1A1SMN1; SMN2MAPTSIGMAR1MAPK10
Hydrochloric Acid SCHEMBL31587154 0.73 MEN1 (0.88) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL13959029 0.73 MEN1 (0.70) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4799893 0.73 LMNA (0.50) ALDH1A1SMN1; SMN2MAPTLMNAMAPK10
SCHEMBL4751012 0.71 OPRD1 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5403356 0.70 CYP2D6 (0.61) MEN1KMT2AALDH1A1SMN1; SMN2TSHR

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
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