SCHEMBL15416993

SCHEMBL15416993

c1ccc(-c2ccc(CNc3nc4ccccc4[nH]3)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.82
SMN1; SMN2 Q16637 3/20 0.82
TP53 P04637 2/20 0.82
HDAC6 Q9UBN7 2/20 0.62
LMNA P02545 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 2/20 0.59
GFER P55789 2/20 0.58
HTT P42858 1/20 0.58
HIF1A Q16665 1/20 0.58
GAA P10253 3/20 0.55
HDAC1 Q13547 1/20 0.55
BCHE P06276 1/20 0.52
TRPC3 Q13507 1/20 0.52
TRPC4 Q9UBN4 1/20 0.52
TRPC5 Q9UL62 1/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL3593419 0.91 RAB9A (1.00) RAB9ASMN1; SMN2TP53HDAC6LMNA
SCHEMBL31329340 0.91 RAB9A (1.00) RAB9ASMN1; SMN2TP53HDAC6LMNA
SCHEMBL27915817 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL27915820 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL3236154 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53HDAC6LMNA
SCHEMBL31329346 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53HDAC6LMNA
SCHEMBL31329353 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53HDAC6LMNA
SCHEMBL27915818 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53HDAC6LMNA
SCHEMBL31329347 0.85 RAB9A (0.77) RAB9ASMN1; SMN2TP53LMNAMEN1
SCHEMBL17487385 0.84 RAB9A (0.58) RAB9ASMN1; SMN2TP53HDAC6LMNA

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
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed