SCHEMBL3977997

SCHEMBL3977997

Nc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.64
PTGS1 P23219 3/20 0.62
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.60
GAA P10253 2/20 0.60
RAB9A P51151 2/20 0.59
GRM4 Q14833 1/20 0.59
PDK1 Q15118 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPSR1 Q6W5P4 3/20 0.57
HTT P42858 2/20 0.57
TMPRSS4 Q9NRS4 1/20 0.57
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
APEX1 P27695 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
XBP1 P17861 1/20 0.56
TRPV1 Q8NER1 1/20 0.55
HDAC3 O15379 2/20 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
SCHEMBL11793308 0.89 KDR (0.68) KDRMAPTLMNAGAARAB9A
SCHEMBL3973967 0.87 KDR (0.66) KDRMAPTLMNAGAARAB9A
SCHEMBL618575 0.86 KDR (0.82) KDRPDK1TRPV1HDAC1HDAC8
SCHEMBL6055167 0.86 LMNA (0.70) KDRMAPTLMNAGAARAB9A
SCHEMBL14972641 0.86 PTGS1 (0.66) PTGS1MAPTLMNARAB9AMEN1
SCHEMBL25143905 0.86 PTGS1 (0.66) PTGS1MAPTLMNAGAARAB9A
SCHEMBL16367720 0.86 PTGS1 (0.66) PTGS1MAPTLMNAGAARAB9A
SCHEMBL10184841 0.85 KDR (0.59) KDRMAPTLMNAGAARAB9A
SCHEMBL24203611 0.85 PTGS1 (0.61) PTGS1MAPTLMNARAB9AGRM4
SCHEMBL28389908 0.84 KDR (0.61) KDRMAPTLMNAGAARAB9A

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
WO-2009054004-A2 PROCESS FOR THE PREPARATION OF SORAFENIB NATCO PHARMA LIMITED (IN) 2009-04-30 WO disclosed