SCHEMBL6202998

SCHEMBL6202998

O=C(Cc1ccccn1)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
NPC1 O15118 5/20 1.00
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 1/20 0.57
CNR1 P21554 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
TLR7 Q9NYK1 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
IDO1 P14902 1/20 0.48
GSK3B P49841 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
CTSD P07339 1/20 0.46
GUSB P08236 1/20 0.46

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
SCHEMBL28950040 0.94 RAB9A (0.88) RAB9ANPC1L3MBTL1MAPTCNR1
SCHEMBL6011931 0.86 RAB9A (0.75) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL2051943 0.86 RAB9A (0.75) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL7820941 0.85 RAB9A (0.73) RAB9ANPC1L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL29986829 0.84 RAB9A (0.73) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL29017606 0.84 RAB9A (0.73) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL28172864 0.84 RAB9A (0.73) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL11622188 0.84 RAB9A (0.73) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
SCHEMBL30333799 0.84 RAB9A (0.73) RAB9ANPC1MAPTSMN1; SMN2CYP1A2
Bromide SCHEMBL28156394 0.84 RAB9A (0.73) RAB9ANPC1MAPTSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed