SCHEMBL5634878

SCHEMBL5634878

O=C(O)N1CCC(c2nc(Cc3ccc(Cl)cc3)no2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.47
LMNA P02545 5/20 0.47
TSHR P16473 5/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TUBB4A P04350 4/20 0.45
TUBB P07437 4/20 0.45
TUBA3C P0DPH7 4/20 0.45
TUBA1B P68363 4/20 0.45
TUBA4A P68366 4/20 0.45
TUBB4B P68371 4/20 0.45
TUBB3 Q13509 4/20 0.45
TUBB2A Q13885 4/20 0.45
TUBB8 Q3ZCM7 4/20 0.45
TUBA3E Q6PEY2 4/20 0.45

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
SCHEMBL5634381 0.88 TUBB4A (0.52) HTTLMNATSHRSMN1; SMN2TUBB4A
SCHEMBL6154577 0.85 ALDH1A1 (0.46) HTTLMNATSHRMAPTALDH1A1
SCHEMBL5634437 0.85 LMNA (0.47) HTTLMNATSHRMAPTSMN1; SMN2
SCHEMBL3610721 0.85 TUBB4A (0.41) LMNATSHRSMN1; SMN2TUBB4ATUBB
SCHEMBL14514087 0.84 SMN1; SMN2 (0.49) LMNAMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL5634909 0.83 CNR1 (0.43) LMNATSHRTUBB4ATUBBTUBA3C
SCHEMBL5633890 0.81 OGA (0.44) HTTLMNAMAPTALDH1A1NPSR1
SCHEMBL5633750 0.81 LMNA (0.47) HTTLMNATSHRMAPTALDH1A1
SCHEMBL3527660 0.81 LMNA (0.47) HTTLMNATSHRALDH1A1SMN1; SMN2
SCHEMBL5634098 0.81 TUBB4A (0.44) HTTLMNATSHRALDH1A1SMN1; SMN2

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-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US disclosed