SCHEMBL9109216

SCHEMBL9109216

N#CBr.O=C(CF)n1ccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.37
ALDH1A1 P00352 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.33
WEE1 P30291 2/20 0.31
CYP24A1 Q07973 1/20 0.31
MAPT P10636 1/20 0.31
TBXAS1 P24557 2/20 0.30
BTN3A1 O00481 1/20 0.30
CA12 O43570 1/20 0.30
GGPS1 O95749 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
MMP2 P08253 1/20 0.30
FDPS P14324 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP14 P50281 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL8283346 0.91
SCHEMBL879375 0.78 CYP19A1 (0.39) CYP19A1ALDH1A1EGLN3WEE1MAPT
SCHEMBL7033719 0.75 CYP19A1 (0.37) CYP19A1ALDH1A1EGLN3CYP24A1MAPT
SCHEMBL6425055 0.75
SCHEMBL6735760 0.74 ALDH1A1 (0.43) CYP19A1ALDH1A1EGLN3MAPTTBXAS1
SCHEMBL11463256 0.74 EGLN3 (0.45) ALDH1A1EGLN3WEE1MAPTTBXAS1
SCHEMBL8761373 0.72
SCHEMBL28410390 0.72 ALDH1A1 (0.38) CYP19A1ALDH1A1EGLN3WEE1MAPT
SCHEMBL1161357 0.71
SCHEMBL22117141 0.71 EGLN3 (0.42) ALDH1A1EGLN3WEE1TBXAS1

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-0605627-A4 IMMUNOASSAY FOR IDENTIFYING ALCOHOLICS AND MONITORING ALCOHOL CONSUMPTION. MAKHLOUF SAMAR (US) 1995-03-29 EP disclosed
EP-0605627-A1 IMMUNOASSAY FOR IDENTIFYING ALCOHOLICS AND MONITORING ALCOHOL CONSUMPTION MAKHLOUF, Samar (US) 1994-07-13 EP disclosed
WO-1993006133-A1 IMMUNOASSAY FOR IDENTIFYING ALCOHOLICS AND MONITORING ALCOHOL CONSUMPTION MAKHLOUF SAMAR (US) 1993-04-01 WO disclosed