SCHEMBL2641981

SCHEMBL2641981

Nc1cccc(-c2cccc(-n3cnc4cc(C(F)(F)F)ccc43)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 8/20 0.56
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDR P35968 2/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
F9 P00740 1/20 0.42
F10 P00742 1/20 0.42
AURKA O14965 1/20 0.41
AURKB Q96GD4 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
Hydrochloric Acid SCHEMBL2641992 0.99 FGFR1 (0.54) FGFR1ALDH1A1HPGDGABRA1GABRG2
SCHEMBL6834170 0.86 MTOR (0.46) FGFR1ALDH1A1HPGDGABRA1GABRG2
SCHEMBL2641983 0.85 GABRA1 (0.55) FGFR1ALDH1A1HPGDGABRA1GABRG2
SCHEMBL2641906 0.83 HPGD (0.45) FGFR1ALDH1A1HPGDGABRA1GABRG2
SCHEMBL2642002 0.82 HPGD (0.46) FGFR1ALDH1A1HPGDGABRA1GABRG2
SCHEMBL29623727 0.82 FGFR1 (0.59) FGFR1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL19350767 0.82 FGFR1 (0.59) FGFR1ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL19915930 0.81 FGFR1 (0.62) FGFR1ALDH1A1KDR
SCHEMBL2646769 0.81 HTT (0.59) FGFR1ALDH1A1HPGDKDRAURKA
Hydrochloric Acid SCHEMBL2642036 0.81 GABRA1 (0.46) FGFR1ALDH1A1HPGDGABRA1GABRG2

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 7 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 claimed
EP-0563001-A1 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1993-09-29 EP claimed
JP-6049037-A None JP disclosed
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
JP-H0649037-A IMIDAZOLE COMPOUND, PRODUCTION AND USE THEREOF NEUROSEARCH AS 1994-02-22 JP disclosed
EP-0563001-A1 Imidazole compounds, their preparation and use NEUROSEARCH A/S (DK) 1993-09-29 EP disclosed