SCHEMBL1619231

SCHEMBL1619231

O=C(C=Cc1c(Br)cccc1[N+](=O)[O-])c1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 6/20 0.42
LMNA P02545 5/20 0.42
ATM Q13315 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MAOB P27338 4/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CETP P11597 1/20 0.39
MAOA P21397 2/20 0.38
COMT P21964 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
NTSR1 P30989 1/20 0.38
PTPN1 P18031 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37

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
SCHEMBL12751498 0.81 MAPT (0.41) MAPTPAX8SMN1; SMN2ALDH1A1LMNA
SCHEMBL4749788 0.80 ALDH1A1 (0.45) MAPTPAX8SMN1; SMN2ALDH1A1LMNA
SCHEMBL1619230 0.80 ALDH1A1 (0.45) MAPTPAX8SMN1; SMN2ALDH1A1LMNA
SCHEMBL4753149 0.76 MEN1 (0.44) MAPTSMN1; SMN2ALDH1A1LMNAMAPK1
SCHEMBL29972895 0.70 MAPT (0.58) MAPTSMN1; SMN2ALDH1A1LMNAATM
SCHEMBL23609099 0.68 RAB9A (0.49) MAPTSMN1; SMN2ALDH1A1LMNAATM
SCHEMBL28852575 0.68 RAB9A (0.49) MAPTSMN1; SMN2ALDH1A1LMNAATM
SCHEMBL978712 0.67 AKR1C3 (0.54) MAPTSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL14305995 0.66 MAOB (0.67) MAPTPAX8SMN1; SMN2ALDH1A1LMNA
SCHEMBL4041375 0.66 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1LMNATDP1

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
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed