SCHEMBL5820871

SCHEMBL5820871

O=C(c1ccccc1)c1cc(F)n2cncc2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CNR2 P34972 1/20 0.38
KMT2A Q03164 3/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDK2 P24941 2/20 0.35
CDK4 P11802 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL5820800 0.80 ALDH1A1 (0.41) ALDH1A1
SCHEMBL5820637 0.72 CNR2 (0.44) ALDH1A1CNR2KMT2AALOX15HTT
SCHEMBL2086460 0.64 PTGS1 (0.50) CNR2
SCHEMBL7573834 0.64 KMT2A (0.47) ALDH1A1CNR2KMT2AMEN1NPC1
SCHEMBL16415854 0.62 KMT2A (0.53) ALDH1A1CNR2KMT2AALOX15MEN1
SCHEMBL5604467 0.62 KMT2A (0.63) ALDH1A1CNR2KMT2AALOX15MEN1
SCHEMBL20104422 0.61 KMT2A (0.56) ALDH1A1CNR2KMT2AMEN1NPC1
SCHEMBL3117070 0.61 KMT2A (0.52) ALDH1A1CNR2KMT2AALOX15HTT
SCHEMBL4243991 0.61 GAA (0.59) NPC1RAB9A
SCHEMBL1728538 0.61 PTGS1 (0.73) ALDH1A1KMT2AMEN1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006084835-A1 N-(3-(IMIDAZO [1,5-A]PYRIMIDIN-4-YL)PHENYL]-SULFONAMIDES AND N-[3-(IMIDAZO[1,5-A]PYRIMIDIN-4-YL)-PHENYL]-CARBOXAMIDES AND THEIR USE AS GABAA RECEPTOR MODULATORS FERRER INTERNACIONAL, S. A. (ES) 2006-08-17 WO disclosed