SCHEMBL17560757

SCHEMBL17560757

N=C(NN=Cc1ccc(Cl)cc1F)NN=Cc1ccc(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
RAB9A P51151 5/20 0.45
MAPT P10636 3/20 0.45
CYP1A2 P05177 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP2C19 P33261 2/20 0.45
NPC1 O15118 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
GUSB P08236 2/20 0.43
ANO1 Q5XXA6 1/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
PSMD14 O00487 1/20 0.38

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
SCHEMBL17560756 1.00 LMNA (0.47) LMNARAB9AMAPTCYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL19434705 0.98 LMNA (0.46) LMNARAB9AMAPTCYP1A2SMN1; SMN2
SCHEMBL17574338 0.93 SMN1; SMN2 (0.46) LMNARAB9AMAPTCYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL17560776 0.92 SMN1; SMN2 (0.45) LMNARAB9AMAPTCYP1A2SMN1; SMN2
SCHEMBL11877435 0.88 LMNA (0.45) LMNARAB9AMAPTCYP1A2SMN1; SMN2
SCHEMBL17560971 0.88 LMNA (0.45) LMNARAB9AMAPTCYP1A2SMN1; SMN2
SCHEMBL17598764 0.86 LMNA (0.46) LMNARAB9AMAPTCYP1A2SMN1; SMN2
SCHEMBL19449699 0.83 CYP1A2 (0.57) LMNARAB9AMAPTCYP1A2SMN1; SMN2
Hydrochloric Acid SCHEMBL17560953 0.82 CYP1A2 (0.56) LMNARAB9AMAPTCYP1A2SMN1; SMN2
SCHEMBL19449850 0.82 MEN1 (0.49) LMNARAB9AMAPTCYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3188722-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS Neoculi Pty Ltd (AU) 2017-07-12 EP claimed
WO-2016033635-A1 METHODS FOR TREATING PROTOZOAN INFECTIONS NEOCULI PTY LTD (AU) 2016-03-10 WO claimed