SCHEMBL6682154

SCHEMBL6682154

COc1cc(C#N)cc(C(Br)Br)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ELANE P08246 1/20 0.40
MGLL Q99685 1/20 0.37
GRM5 P41594 1/20 0.35
HPGDS O60760 1/20 0.35
KDM1A O60341 1/20 0.35
PGR P06401 1/20 0.34
LRRK2 Q5S007 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
SNCA P37840 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL903695 0.84 ALDH1A1 (0.58) ALDH1A1ELANECYP1A1CYP1B1
SCHEMBL15958517 0.83 ALDH1A1 (0.42) ALDH1A1MGLLGRM5HPGDSKDM1A
SCHEMBL202404 0.82 ALDH1A1 (0.61) ALDH1A1GRM5HPGDSKDM1APGR
SCHEMBL3628529 0.81 EPAS1 (0.41) ALDH1A1MGLLGRM5HPGDSKDM1A
SCHEMBL16961695 0.80 ALDH1A1 (0.39) ALDH1A1MGLLGRM5HPGDSKDM1A
SCHEMBL509576 0.80 ALDH1A1 (0.58) ALDH1A1GRM5HPGDSKDM1APGR
SCHEMBL21164288 0.79 MGLL (0.38) ALDH1A1MGLLGRM5HPGDSKDM1A
SCHEMBL6683299 0.78 LMNA (0.37) ALDH1A1MGLL
SCHEMBL21135650 0.77 MGLL (0.40) ALDH1A1MGLLGRM5HPGDSKDM1A
SCHEMBL16959946 0.77 ALDH1A1 (0.37) ALDH1A1MGLLGRM5HPGDSKDM1A

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-2004063156-A1 NOVEL INDOLE DERIVATES AS FABP-4 INHIBITORS BIOVITRUM AB (SE) 2004-07-29 WO disclosed