SCHEMBL7848632

SCHEMBL7848632

C=CCN1C(=O)Cc2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
APAF1 O14727 3/20 0.47
MEN1 O00255 3/20 0.47
HPGD P15428 1/20 0.47
CASP3 P42574 4/20 0.46
PKM P14618 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 5/20 0.44
CASP1 P29466 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CASP6 P55212 3/20 0.42
SENP8 Q96LD8 3/20 0.42

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
SCHEMBL30215698 0.87 HTR7 (0.50) HPGDCASP3GAAHTR7HTR1A
SCHEMBL185755 0.87 HTR7 (0.50) HPGDCASP3GAAHTR7HTR1A
SCHEMBL1260843 0.84 KMT2A (0.60) ADRA1DADRA1AADRA1BKMT2AALDH1A1
SCHEMBL14139497 0.77 KMT2A (0.49) KMT2AALDH1A1MAPTAPAF1MEN1
SCHEMBL8224822 0.76 POLB (0.59) ADRA1DADRA1AADRA1BKMT2AMAPT
SCHEMBL4433161 0.76 KMT2A (0.47) KMT2AALDH1A1MAPTAPAF1MEN1
SCHEMBL14139369 0.74 KMT2A (0.47) KMT2AALDH1A1MAPTAPAF1MEN1
SCHEMBL10753574 0.73 MAPT (0.44) KMT2AALDH1A1MAPTHPGDCASP3
SCHEMBL11567064 0.73 ADRA1D (0.47) ADRA1DADRA1AADRA1BALDH1A1MAPT
SCHEMBL11401803 0.73 CASP3 (0.54) ALDH1A1MAPTCASP3PKMLMNA

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