SCHEMBL5540928

SCHEMBL5540928

[CH]=C(C)Cc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
GAA P10253 2/20 0.44
TRPA1 O75762 2/20 0.44
CTBP2 P56545 1/20 0.42
IDO1 P14902 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGS1 P23219 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
SCHEMBL1620786 0.80 TDP1 (0.47) TDP1POLBAPEX1GAATRPA1
SCHEMBL48545 0.76 GAA (0.53) TDP1POLBAPEX1GAACTBP2
SCHEMBL27553305 0.76 LOXL2 (0.48) TDP1POLBAPEX1GAATRPA1
SCHEMBL8271141 0.76 TDP1 (0.48) TDP1POLBAPEX1GAATRPA1
SCHEMBL3035376 0.75 CES1 (0.50) TDP1CTBP2KMT2ATP53MAPK1
SCHEMBL15066420 0.74 TRPA1 (0.52) TDP1POLBAPEX1GAATRPA1
SCHEMBL2208662 0.74 GAA (0.52) TDP1POLBAPEX1GAACTBP2
SCHEMBL3656534 0.73 CTBP2 (0.53) TDP1POLBAPEX1GAATRPA1
SCHEMBL6568394 0.73 LMNA (0.44) LMNASMN1; SMN2TP53MAPT
SCHEMBL9266213 0.71 TDP1 (0.49) TDP1POLBAPEX1GAACTBP2

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
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed