SCHEMBL2641987

SCHEMBL2641987

COc1cccc(-c2cccc(-n3cnc4cc([N+](=O)[O-])ccc43)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
HPGD P15428 3/20 0.67
FGFR1 P11362 7/20 0.56
MAPT P10636 1/20 0.55
KDR P35968 1/20 0.52
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOB P27338 1/20 0.46
HTT P42858 2/20 0.45
GFER P55789 1/20 0.45
MAPK1 P28482 1/20 0.44
MAPK10 P53779 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44

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
SCHEMBL2644383 0.81 ALDH1A1 (0.67) ALDH1A1HPGDFGFR1MAPTKDR
SCHEMBL16158430 0.80 FGFR1 (0.86) ALDH1A1HPGDFGFR1KDRMAOB
Hydrochloric Acid SCHEMBL2641973 0.80 ALDH1A1 (0.65) ALDH1A1HPGDFGFR1MAPTKDR
SCHEMBL2644889 0.79 FGFR1 (0.80) ALDH1A1HPGDFGFR1MAPTKDR
SCHEMBL3342620 0.78 ALDH1A1 (1.00) ALDH1A1HPGDFGFR1MAPTHTT
SCHEMBL30656825 0.78 L3MBTL1 (0.57) ALDH1A1HPGDFGFR1MAPTKEAP1
SCHEMBL26758082 0.78 L3MBTL1 (0.57) ALDH1A1HPGDFGFR1MAPTKEAP1
SCHEMBL2644783 0.77 ALDH1A1 (0.62) ALDH1A1HPGDFGFR1MAPTLMNA
SCHEMBL1679678 0.75 MAPT (0.62) ALDH1A1HPGDFGFR1MAPTNPC1
SCHEMBL24703671 0.74 FGFR1 (0.75) ALDH1A1HPGDFGFR1MAPTKDR

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
EP-0563001-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1996-02-28 EP disclosed
US-5360809-A Imidazole compounds and their use as calcium channel blockers NEUROSEARCH A/S (DK) 1994-11-01 US disclosed
EP-0563001-A1 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1993-09-29 EP disclosed