SCHEMBL5330657

SCHEMBL5330657

O=C(Nc1cccc(Cl)c1)c1ccc(Br)c2c1NCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.50
HSPE1 P61604 1/20 0.50
GRM5 P41594 6/20 0.49
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
FADS1 O60427 2/20 0.46
P2RX1 P51575 1/20 0.46
P2RX4 Q99571 1/20 0.46
P2RX7 Q99572 1/20 0.46
APEX1 P27695 1/20 0.46
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
BLM P54132 1/20 0.44
GRM4 Q14833 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F2R P25116 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL5324997 0.75 GRM5 (0.59) HSPD1HSPE1GRM5FADS1P2RX1
SCHEMBL5328612 0.72 PARP1 (0.39) ALOX15ALOX12MAPTTP53SMN1; SMN2
SCHEMBL24118913 0.69 HSPD1 (0.75) HSPD1HSPE1GRM5FADS1P2RX1
SCHEMBL24118861 0.67 HSPD1 (1.00) HSPD1HSPE1GRM5FADS1P2RX1
SCHEMBL28914079 0.67 HSPD1 (0.56) HSPD1HSPE1GRM5FADS1P2RX1
SCHEMBL21828994 0.67 MAPT (0.61) HSPD1HSPE1GRM5FADS1P2RX1
SCHEMBL12225785 0.66 FADS1 (0.70) FADS1P2RX1P2RX4P2RX7TP53
SCHEMBL25226774 0.66 HSPD1 (0.65) HSPD1HSPE1GRM5FADS1P2RX1
SCHEMBL330366 0.66 P2RX1 (0.78) HSPD1HSPE1FADS1P2RX1P2RX4
SCHEMBL15778718 0.65 FADS1 (0.74) FADS1P2RX1P2RX4P2RX7MAPT

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-2007028789-A1 QUINAZOLINE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed