SCHEMBL8354573

SCHEMBL8354573

O=C(Nc1ccc(F)cn1)c1cc(Cl)ccc1NO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.64
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
KCNH2 Q12809 3/20 0.52
KLKB1 P03952 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TSHR P16473 2/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FFAR2 O15552 1/20 0.50
TMPRSS4 Q9NRS4 1/20 0.49
BRD4 O60885 1/20 0.49

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
SCHEMBL8356569 0.90 F10 (0.64) F10SMN1; SMN2TDP1KCNH2KLKB1
SCHEMBL8353943 0.89 F10 (0.51) F10SMN1; SMN2TDP1ALDH1A1TSHR
SCHEMBL4856966 0.86 F10 (0.66) F10KCNH2KLKB1
SCHEMBL8355348 0.85 F10 (0.65) F10SMN1; SMN2KCNH2KLKB1ALDH1A1
SCHEMBL4856391 0.83 F10 (0.63) F10KCNH2KLKB1ALDH1A1TSHR
SCHEMBL3156608 0.83 F10 (0.56) F10SMN1; SMN2TDP1ALDH1A1TSHR
SCHEMBL4858193 0.83 F10 (0.64) F10SMN1; SMN2KCNH2KLKB1ALDH1A1
SCHEMBL5388278 0.81 F10 (0.74) F10KCNH2KLKB1
SCHEMBL4857507 0.81 F10 (0.66) F10SMN1; SMN2TDP1KCNH2KLKB1
SCHEMBL4852753 0.81 F10 (0.61) F10KCNH2KLKB1

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-2003050088-A1 SUBSTITUTED HETEROCYCLIC CARBOXAMIDES WITH ANTITHROMBOTIC ACTIVITY ELI LILLY AND COMPANY (US) 2003-06-19 WO disclosed