SCHEMBL27699482

SCHEMBL27699482

COc1ccc(C(F)(F)F)nc1N(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
PDE4B Q07343 14/20 0.42
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.38

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
SCHEMBL2614969 0.76 TUBB4A (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20869211 0.76 PDE4B (0.48) PDE4BKDM4EL3MBTL1LMNATP53
SCHEMBL30358862 0.74 PDE4B (0.43) PDE4BKDM4ELMNATP53HSD17B10
SCHEMBL7917474 0.74 PDE4B (0.43) PDE4BKDM4ELMNATP53HSD17B10
SCHEMBL31010990 0.74 PDE4B (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL18606101 0.74 PDE4B (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16019386 0.74 TUBB4A (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25791611 0.73 PDE4B (0.43) PDE4BKDM4EL3MBTL1LMNATP53
SCHEMBL18753138 0.72 MCHR1 (0.46) KDM4EMAPTL3MBTL1LMNATP53
SCHEMBL23554835 0.71 PDE4B (0.52) PDE4BPDE3APDE4APDE4CPDE4D

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
CN-101160285-A Substituted sulfonylaminoarylmethyl cyclopropanecarboxamide as vr1 receptor antagonists PFIZER (US) 2008-04-09 CN disclosed