SCHEMBL4675605

SCHEMBL4675605

O=C(Nc1ccc(Cl)cn1)c1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.63
NPC1 O15118 7/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
ALOX15 P16050 2/20 0.62
HTT P42858 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
TLR7 Q9NYK1 1/20 0.60
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
ALDH1A1 P00352 3/20 0.59
BRD4 O60885 1/20 0.59
PTK2 Q05397 1/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
TP53 P04637 4/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57

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
SCHEMBL9384187 0.83 NPC1 (0.72) RAB9ANPC1SMN1; SMN2ALOX15L3MBTL1
SCHEMBL15070496 0.83 RAB9A (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL30761214 0.83 NPC1 (0.59) RAB9ANPC1SMN1; SMN2HTTTDP1
SCHEMBL29738597 0.83 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2ALOX15L3MBTL1
SCHEMBL2989740 0.83 SMN1; SMN2 (0.65) RAB9ANPC1SMN1; SMN2ALOX15L3MBTL1
SCHEMBL7069217 0.82 KMT2A (0.79) RAB9ANPC1SMN1; SMN2ALOX15HTT
SCHEMBL23405932 0.81 GRM5 (0.64) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5395436 0.80 SMN1; SMN2 (0.66) RAB9ANPC1SMN1; SMN2ALOX15HTT
SCHEMBL28764679 0.80 L3MBTL1 (0.66) RAB9ANPC1SMN1; SMN2ALOX15HTT
SCHEMBL29837506 0.80 L3MBTL1 (0.66) RAB9ANPC1SMN1; SMN2ALOX15HTT

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
EP-1644334-B1 ANTITHROMBOTIC ETHERS LILLY CO ELI (US) 2008-01-02 EP disclosed