SCHEMBL7858448

SCHEMBL7858448

O=C1C=NC(c2ccccc2)c2ccccc2N1CCCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
GRM2 Q14416 1/20 0.36
LIPG Q9Y5X9 3/20 0.35
CDC25A P30304 1/20 0.33
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CNR2 P34972 3/20 0.30
CNR1 P21554 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL6920408 0.74 CHEK1 (0.36) MEN1ALDH1A1KMT2AHDAC4HDAC7
Hydrochloric Acid SCHEMBL7208149 0.72 CHEK1 (0.36) MEN1ALDH1A1KMT2AHDAC4HDAC7
SCHEMBL7479940 0.70 SCN9A (0.40) SCN9AMEN1ALDH1A1KMT2ACNR1
SCHEMBL10471795 0.63
SCHEMBL5423024 0.63 CES1 (0.67) CDC25AALDH1A1
SCHEMBL7479946 0.63 SCN9A (0.40) SCN9AGRM2MEN1KMT2AHDAC3
SCHEMBL7832520 0.61 MEN1 (0.44) MEN1ALDH1A1KMT2AHDAC4HDAC7
SCHEMBL11750297 0.61 MEN1 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL5222768 0.60 OPRK1 (0.39)
SCHEMBL7858451 0.59 HDAC3 (0.63) MEN1ALDH1A1KMT2AHSD17B10HDAC3

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-1089981-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS. Elan Pharmaceuticals, Inc. (US) 2001-04-11 EP disclosed
WO-1999067220-A1 COMPOUNDS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1999-12-29 WO disclosed