SCHEMBL7658956

SCHEMBL7658956

CCCCc1nc(-c2ccc(F)cc2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.50
AOC3 Q16853 2/20 0.46
ADORA3 P0DMS8 3/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
SUCNR1 Q9BXA5 1/20 0.42
ADORA2A P29274 1/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 1/20 0.41
GCGR P47871 1/20 0.40
ROCK2 O75116 1/20 0.40
CSNK1D P48730 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL1899895 0.84 NR1H2 (0.58) DDX3XAOC3ADORA3RAB9ANPC1
SCHEMBL5381307 0.84 CSNK1D (0.63) DDX3XADORA3ADORA2BADORA1SUCNR1
SCHEMBL7654725 0.83 ROCK2 (0.53) DDX3XRAB9ANPC1SMN1; SMN2ROCK2
SCHEMBL15026752 0.81 DDX3X (0.43) DDX3XAOC3ADORA1RAB9ANPC1
SCHEMBL2222389 0.81 AOC3 (0.45) AOC3RAB9ANPC1POLBSUCNR1
SCHEMBL7213157 0.81 RARB (0.55) DDX3XAOC3RAB9ANPC1SMN1; SMN2
SCHEMBL5387634 0.80 CSNK1D (0.62) DDX3XSUCNR1GCGRCSNK1D
SCHEMBL26108539 0.79 ADORA2A (0.47) DDX3XADORA1RAB9ANPC1POLB
SCHEMBL15025171 0.77 SUCNR1 (0.43) DDX3XAOC3ADORA1RAB9ANPC1
SCHEMBL7218544 0.77 DDX3X (0.53) DDX3XAOC3RAB9ANPC1SMN1; SMN2

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
US-6358984-B1 FOR THERAPY OF HYPERTENSION AND/OR DISEASES SUCH AS HEART AND RENAL DISEASES LEAD CHEMICAL CO., LTD. (JP) 2002-03-19 US disclosed
US-6232335-B1 A BIPHENYL TRIAZOLE COMPOUND USEFUL AS A ANGIOTENSIN II CONVERTING ENZYME INHIBITORS EFFECTIVE IN THE TREATMENT OF HYPERTENSION OR HEART FAILURE LEAD CHEMICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-0936221-A1 NOVEL 2,4-DIOXOPYRROLIDINE AND 2,4-DIOXOTETRAHYDROFURAN DERIVATIVES AND MEDICINES CONTAINING THE SAME AS THE ACTIVE INGREDIENT LEAD CHEMICAL COMPANY LTD. (JP) 1999-08-18 EP disclosed