SCHEMBL2642007

SCHEMBL2642007

O=CNc1cccc(-n2cnc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
AURKA O14965 1/20 0.49
KDR P35968 1/20 0.49
AURKB Q96GD4 1/20 0.49
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
DHODH Q02127 1/20 0.44
FGFR1 P11362 8/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20627049 0.88 AURKA (0.50) HPGDALDH1A1AURKAKDRAURKB
SCHEMBL19915930 0.79 FGFR1 (0.62) ALDH1A1KDRFGFR1
SCHEMBL2646769 0.79 HTT (0.59) HPGDALDH1A1AURKAKDRAURKB
SCHEMBL2642078 0.78 FGFR1 (0.63) HPGDALDH1A1AURKAKDRAURKB
SCHEMBL2642011 0.78 HPGD (0.52) HPGDALDH1A1AURKAKDRAURKB
SCHEMBL2666380 0.78 HPGD (0.52) HPGDALDH1A1AURKAKDRAURKB
SCHEMBL2641968 0.76 NPC1 (0.62) HPGDALDH1A1AURKAKDRAURKB
SCHEMBL1356729 0.76 FGFR1 (0.66) HPGDALDH1A1AURKAKDRAURKB
SCHEMBL2641853 0.76 FGFR1 (0.65) HPGDALDH1A1KDRFGFR1SMN1; SMN2
SCHEMBL2641981 0.74 FGFR1 (0.56) HPGDALDH1A1AURKAKDRAURKB

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