SCHEMBL364575

SCHEMBL364575

CC(=O)C(c1ccccc1)(c1ccccc1)c1ccnc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.40
UHRF1 Q96T88 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
WNT3A P56704 3/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
PORCN Q9H237 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
KDM4E B2RXH2 1/20 0.36
AR P10275 1/20 0.36
SORT1 Q99523 1/20 0.36
MAPK1 P28482 1/20 0.35
FTO Q9C0B1 1/20 0.35
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35

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
SCHEMBL363061 0.89 KCNN4 (0.34) KCNN4NPSR1WNT3APSEN1PSEN2
SCHEMBL365757 0.83 CDC7 (0.35) KDM4ESORT1FTOSMARCA2SMARCA4
SCHEMBL371147 0.82 SORT1 (0.34) UHRF1NPSR1KDM4ESORT1MAPK1
SCHEMBL363591 0.81 UHRF1 (0.35) KCNN4UHRF1WNT3APSEN1PSEN2
SCHEMBL362081 0.80 HSD17B1 (0.33) SORT1
SCHEMBL363549 0.79 NPC1 (0.34) NPSR1WNT3AKDM4EARSORT1
SCHEMBL364193 0.79 NPC1 (0.34) NPSR1WNT3AKDM4EARSORT1
SCHEMBL3523419 0.78 KCNN4 (0.58) KCNN4NPSR1
SCHEMBL363769 0.77 PTPN1 (0.33)
SCHEMBL365152 0.77 PTPN1 (0.33)

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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed