SCHEMBL17908005

SCHEMBL17908005

O=C(O)C=Cc1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.55
F3 P13726 1/20 0.55
MEN1 O00255 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 2/20 0.49
DAO P14920 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
FLT3 P36888 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
CYP19A1 P11511 1/20 0.44
F11 P03951 1/20 0.44
GUSB P08236 1/20 0.43
NHERF1 O14745 2/20 0.43
HRH4 Q9H3N8 4/20 0.43
HRH3 Q9Y5N1 2/20 0.43

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
SCHEMBL17908002 1.00 F7 (0.55) F7F3MEN1NPC1RAB9A
SCHEMBL15466243 0.88 ALOX15 (0.50) F7F3DAOFLT3MAPT
SCHEMBL15466242 0.88 ALOX15 (0.50) F7F3DAOFLT3MAPT
SCHEMBL17907980 0.81 KDM4E (0.55) DAOFLT3KDM4EALDH1A1LMNA
SCHEMBL17907978 0.81 KDM4E (0.55) DAOFLT3KDM4EALDH1A1LMNA
SCHEMBL17907955 0.81 PIN1 (0.55) NPC1RAB9ADAOFLT3SMN1; SMN2
SCHEMBL17907958 0.81 PIN1 (0.55) NPC1RAB9ADAOFLT3SMN1; SMN2
SCHEMBL6295560 0.81 ATP6AP1 (0.53) KDM4ELMNA
SCHEMBL6295563 0.81 ATP6AP1 (0.53) KDM4ELMNA
SCHEMBL5829213 0.79 PDGFRB (0.57) MEN1NPC1RAB9AKMT2AFLT3

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
EP-2697223-B1 7-(HETEROARYL-AMINO)-6,7,8,9-TETRAHYDROPYRIDO[1,2-A]INDOL ACETIC ACID DERIVATIVES AND THEIR USE AS PROSTAGLANDIN D2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2016-07-13 EP disclosed