SCHEMBL2647682

SCHEMBL2647682

CCCC(F)c1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
HIF1A Q16665 1/20 0.47
VCAM1 P19320 1/20 0.45
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRM4 Q14833 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.40
CA1 P00915 1/20 0.40
MMP2 P08253 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 5/20 0.38
RECQL P46063 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MITF O75030 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
SCHEMBL30155394 0.79 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL2698568 0.79 ALDH1A1 (0.58) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL257444 0.78 VCAM1 (0.51) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL12868652 0.77 ALDH1A1 (0.56) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL28115557 0.76 ALDH1A1 (0.47) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL27734066 0.74 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL2340870 0.74 EPAS1 (0.56) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL16950918 0.74 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL16654006 0.74 ALDH1A1 (0.53) ALDH1A1HIF1AVCAM1GRM8GRM6
SCHEMBL30783382 0.74 ALDH1A1 (0.45) ALDH1A1HIF1AVCAM1GRM8GRM6

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-0934281-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA- A? RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1999-08-11 EP disclosed
WO-1998017651-A1 1-PHENYL-BENZIMIDAZOLE COMPOUNDS AND THEIR USE AS BAGA-A RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 1998-04-30 WO disclosed