SCHEMBL8899162

SCHEMBL8899162

Cn1c(C(F)(F)F)c(C#N)c2cc(Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOA P21397 1/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HCRTR1 O43613 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
CYP2C9 P11712 1/20 0.36
CYP1A1 P04798 1/20 0.36
DYRK3 O43781 1/20 0.36
PIM1 P11309 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
DYRK1A Q13627 1/20 0.36
NTRK3 Q16288 1/20 0.36
PIM3 Q86V86 1/20 0.36
SRPK1 Q96SB4 1/20 0.36

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
SCHEMBL8897690 0.88 CYP11B2 (0.51) CYP11B1CYP11B2MAOARAB9AKDM4E
SCHEMBL8899803 0.73 CYP11B2 (0.31) CYP11B2KDM4EALDH1A1AR
SCHEMBL28062885 0.72 EGFR (0.46) DYRK3PIM1MAPK8MAPK9MAPK10
SCHEMBL5527743 0.72 MCHR1 (0.46) CYP11B1CYP11B2MAOARAB9AKDM4E
SCHEMBL29891682 0.72 MCHR1 (0.46) CYP11B1CYP11B2MAOARAB9AKDM4E
SCHEMBL8898217 0.71 SIRT2 (0.38) CYP11B2MAPTPIM1DYRK1APIM3
SCHEMBL25389422 0.70 GSK3B (0.45) CYP11B1CYP11B2MAOARAB9AKDM4E
SCHEMBL1921296 0.69 KDM4E (0.53) KDM4EHCRTR1MAPTCASP1CASP7
SCHEMBL8900309 0.69 CYP11B2 (0.37) CYP11B1CYP11B2MAOARAB9AKDM4E
SCHEMBL1605933 0.68 CYP11B2 (0.82) CYP11B1CYP11B2MAOAKDM4EHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599832-A INDOLES SUBSTITUTED WITH GROUPS BOTH ELECTRON WITHDRAWING AND LIPOPHILIC; GROWING, HARVESTING AND STORAGE OF CROPS AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5502071-A PLANTS AMERICAN CYANAMID COMPANY (US) 1996-03-26 US disclosed
EP-0697172-A1 Indoles as insecticides and acaricides AMERICAN CYANAMID COMPANY (US) 1996-02-21 EP disclosed