SCHEMBL9040100

SCHEMBL9040100

Cc1ccc(-n2cc(Br)cc2C#N)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 3/20 0.35
GABRA1 P14867 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
CRHR1 P34998 2/20 0.34
AR P10275 4/20 0.33
METAP2 P50579 1/20 0.33
ACHE P22303 1/20 0.33
BCHE P06276 1/20 0.33
GABRA2 P47869 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 1/20 0.32

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
SCHEMBL9042091 0.86 AR (0.37) ARACHE
SCHEMBL9041668 0.81 TSHR (0.31)
SCHEMBL15561086 0.78 JAK2 (0.50) ARALDH1A1GAAHPGDJAK2
SCHEMBL9033966 0.78 ALDH1A1 (0.36) ARKDM4EALDH1A1HPGD
SCHEMBL7008935 0.77 KDM4E (0.38) GABRB2GABRA1GABRG2GABRB3CRHR1
SCHEMBL9043499 0.76 AR (0.36) GABRB2GABRA1GABRG2GABRB3AR
SCHEMBL9043492 0.75 USP2 (0.44) ARKDM4EALDH1A1GAAHPGD
SCHEMBL15561213 0.72 JAK2 (0.57) GABRB2CRHR1ARGABRA2KDM4E
SCHEMBL9043421 0.72 KDM4E (0.36) ARKDM4EALDH1A1
SCHEMBL15561149 0.71 JAK2 (0.36) ALDH1A1JAK2JAK1TYK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0480204-B1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO (JP) 1996-03-20 EP disclosed
US-5215994-A Treating or preventing hypertension or heart failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-01 US disclosed
US-5210092-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-11 US disclosed
EP-0480204-A1 Imidazole derivatives, potent and selective antagonists of angiotensin II receptor FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed