SCHEMBL6405798

SCHEMBL6405798

C=Cc1cccc(C(N)=O)c1C=C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
PLK4 O00444 1/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
MAP4K4 O95819 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
LTK P29376 1/20 0.39

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
SCHEMBL3511705 0.88 PARP1 (0.47) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL27466112 0.84 ALDH1A1 (0.35) PARP1ALDH1A1MAPTTSHRGAA
SCHEMBL997602 0.82 ALDH1A1 (0.44) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL1004375 0.82 ALDH1A1 (0.50) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL5279852 0.81 PARP1 (0.43) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL393948 0.81 AKT1 (0.41) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL27804306 0.80 PARP1 (0.34) PARP1KDM4EALDH1A1TSHRHSD17B10
SCHEMBL30053495 0.80 ALDH1A1 (0.48) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL5189064 0.79 ALDH1A1 (0.44) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL5323674 0.79 CYP3A4 (0.38) KDM4EALDH1A1TSHRHSD17B10LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104114025-A Nematicidal cis (hetero)arylcyclopropylcarboxamide derivatives SYNGENTA PARTICIPATIONS AG 2014-10-22 CN disclosed
US-8294007-B2 Membrane and 1,2-dipalmitoyl-sn-glycero-3-phospho-N-(2-hydroxymethyl)-3,5-divinylbenzamide; DNA sequencing THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2012-10-23 US disclosed
WO-2005084395-A2 METHOD OF STABILIZATION OF FUNCTIONAL NANOSCALE PORES FOR DEVICE APPLICATIONS THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2005-09-15 WO disclosed
US-20050191616-A1 Method of stabilization of functional nanoscale pores for device applications THE GOVERNMENT OF THE UNITED STATES, AS RESPRESENTED BY THE SECRETARY OF THE NAVY 2005-09-01 US disclosed