SCHEMBL5324997

SCHEMBL5324997

O=C(Nc1cccc(Cl)c1)c1cccc2c1NCCN2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.59
FADS1 O60427 3/20 0.57
P2RX1 P51575 1/20 0.53
P2RX4 Q99571 1/20 0.53
P2RX7 Q99572 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
GRM4 Q14833 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAOB P27338 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
HSPD1 P10809 1/20 0.48
HSPE1 P61604 1/20 0.48
AHR P35869 1/20 0.48

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
SCHEMBL15622414 0.77 ALOX15 (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5330657 0.75 HSPD1 (0.50) GRM5FADS1P2RX1P2RX4P2RX7
SCHEMBL15778718 0.74 FADS1 (0.74) FADS1P2RX1P2RX4P2RX7NPC1
SCHEMBL2701738 0.73 FADS1 (1.00) FADS1P2RX1P2RX4P2RX7NPC1
SCHEMBL15778670 0.73 FADS1 (0.68) GRM5FADS1P2RX1P2RX4P2RX7
SCHEMBL16007625 0.72 MEN1 (0.76) FADS1P2RX1P2RX4P2RX7NPC1
SCHEMBL4718180 0.72 NPC1 (0.55) NPC1RAB9AGRM4HDAC6SMN1; SMN2
SCHEMBL472983 0.72 FADS1 (0.78) GRM5FADS1P2RX1P2RX4P2RX7
SCHEMBL12225785 0.72 FADS1 (0.70) FADS1P2RX1P2RX4P2RX7NPC1
SCHEMBL15778871 0.72 FADS1 (0.70) FADS1P2RX1P2RX4P2RX7NPC1

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