SCHEMBL7535310

SCHEMBL7535310

C=C(C)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
TP53 P04637 1/20 0.61
MAPT P10636 5/20 0.60
RAB9A P51151 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 1/20 0.60
ALDH1A1 P00352 4/20 0.59
LMNA P02545 2/20 0.58
GAA P10253 4/20 0.58
KDM4E B2RXH2 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
NPSR1 Q6W5P4 2/20 0.56
XBP1 P17861 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL31598580 0.84 MAPT (0.60) TDP1TP53MAPTRAB9AMEN1
SCHEMBL19766263 0.83 L3MBTL1 (0.61) TDP1TP53MAPTRAB9AMEN1
SCHEMBL30022965 0.83 RXFP1 (0.69) TDP1TP53MAPTRAB9AMEN1
SCHEMBL505220 0.83 RXFP1 (0.69) TDP1TP53MAPTRAB9AMEN1
SCHEMBL20963100 0.83 TP53 (0.60) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL1098272 0.83 TDP1 (0.79) TDP1TP53RAB9AALDH1A1KDM4E
SCHEMBL2295426 0.82 MAPT (0.71) TDP1TP53MAPTRAB9AMEN1
SCHEMBL9182432 0.82 DHODH (0.55) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL9182434 0.82 DHODH (0.55) TP53MAPTRAB9AMEN1KMT2A
SCHEMBL21138402 0.81 SMN1; SMN2 (0.65) TP53MAPTRAB9AMEN1KMT2A

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
WO-2002034251-A1 TREATMENT OF ASTHMA WITH LFM ANALOGUES PARKER HUGHES INSTITUTE (US) 2002-05-02 WO disclosed
EP-1124795-A1 INHIBITORS OF THE EGF-RECEPTOR TYROSINE KINASE AND THEIR USE Parker Hughes Institute (US) 2001-08-22 EP disclosed
WO-2000056703-A1 INHIBITORS OF THE EGF-RECEPTOR TYROSINE KINASE AND THEIR USE PARKER HUGHES INSTITUTE (US) 2000-09-28 WO disclosed
US-4046577-A PHOTOREACTIVE COMPOSITIONS COMPRISING POLYMERS CONTAINING ALKOXYAROMATIC GLYOXY GROUPS THE RICHARDSON COMPANY (US) 1977-09-06 US disclosed