SCHEMBL7181978

SCHEMBL7181978

Nc1cc(C(F)(F)F)ccc1NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
ALOX15 P16050 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PIM1 P11309 3/20 0.45
CHEK1 O14757 1/20 0.45
NTRK1 P04629 1/20 0.45
MET P08581 1/20 0.45
LTK P29376 1/20 0.45
GRK5 P34947 1/20 0.45
MAP2K2 P36507 1/20 0.45
CDK8 P49336 1/20 0.45
NEK2 P51955 1/20 0.45
LIMK1 P53667 1/20 0.45
TYRO3 Q06418 1/20 0.45

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
SCHEMBL355011 0.92 ALDH1A1 (0.53) MAPTKDM4EGAAALOX15MEN1
SCHEMBL7190719 0.85 ALDH1A1 (0.47) MAPTKDM4EGAAALOX15MEN1
SCHEMBL2687081 0.85 KDM4E (0.48) MAPTKDM4EGAAALOX15MEN1
SCHEMBL7190725 0.85 ALDH1A1 (0.47) MAPTKDM4EGAAALOX15MEN1
SCHEMBL22605894 0.85 MAPK1 (0.55) MAPTKDM4EGAAALOX15MEN1
SCHEMBL7191488 0.81 ALDH1A1 (0.43) MAPTKDM4EGAAALOX15MEN1
SCHEMBL7191486 0.81 ALDH1A1 (0.43) MAPTKDM4EGAAALOX15MEN1
SCHEMBL20356222 0.79 ALDH1A1 (0.44) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL30657540 0.79 ALDH1A1 (0.44) MAPTKDM4EGAAMEN1KMT2A
SCHEMBL27723944 0.79 CA1 (0.49) MAPTKDM4EALOX15MEN1KMT2A

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
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
EP-0572852-B1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF AG (DE) 1998-10-21 EP disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed