SCHEMBL2642002

SCHEMBL2642002

FC(F)(F)c1ccc2c(c1)ncn2-c1cccc(-c2ccsc2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
FGFR1 P11362 7/20 0.43
KDR P35968 2/20 0.40
CTSL P07711 1/20 0.40
CTSC P53634 1/20 0.40
GRM5 P41594 1/20 0.40
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
DHODH Q02127 1/20 0.39
TOP1 P11387 1/20 0.39
F9 P00740 1/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL2641981 0.82 FGFR1 (0.56) HPGDALDH1A1GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL2641992 0.81 FGFR1 (0.54) HPGDALDH1A1GABRA1GABRG2GABRB3
SCHEMBL6834170 0.79 MTOR (0.46) HPGDALDH1A1GABRA1GABRG2GABRB3
SCHEMBL2341423 0.79 FGFR1 (0.64) HPGDALDH1A1FGFR1
SCHEMBL19915930 0.79 FGFR1 (0.62) ALDH1A1FGFR1KDR
SCHEMBL2646769 0.78 HTT (0.59) HPGDALDH1A1FGFR1KDRAURKA
SCHEMBL2333619 0.78 FGFR1 (0.63) HPGDALDH1A1GABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL2642036 0.78 GABRA1 (0.46) HPGDALDH1A1GABRA1GABRG2GABRB3
SCHEMBL1761981 0.77 GABRA1 (0.55) HPGDALDH1A1GABRA1GABRG2GABRB3
SCHEMBL1762023 0.77 GABRA1 (0.58) HPGDALDH1A1GABRA1GABRG2GABRB3

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-0563001-B1 Imidazole compounds, their preparation and use NEUROSEARCH AS (DK) 1996-02-28 EP disclosed
EP-0563001-A1 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1993-09-29 EP disclosed