SCHEMBL4635994

SCHEMBL4635994

COc1cccc(Br)c1.COc1cccc(C(=O)c2cn(-c3cccc(-c4cccc(F)c4OC)c3)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 10/20 0.43
TUBB P07437 10/20 0.43
TUBA3C P0DPH7 10/20 0.43
TUBA1B P68363 10/20 0.43
TUBA4A P68366 10/20 0.43
TUBB4B P68371 10/20 0.43
TUBB3 Q13509 10/20 0.43
TUBB2A Q13885 10/20 0.43
TUBB8 Q3ZCM7 10/20 0.43
TUBA3E Q6PEY2 10/20 0.43
TUBA1A Q71U36 10/20 0.43
TUBA1C Q9BQE3 10/20 0.43
TUBB6 Q9BUF5 10/20 0.43
TUBB2B Q9BVA1 10/20 0.43
TUBB1 Q9H4B7 10/20 0.43
USP30 Q70CQ3 1/20 0.38
FGFR2 P21802 1/20 0.38
KDR P35968 1/20 0.38
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36

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
SCHEMBL4636183 0.96 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2499569 0.95 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2495983 0.94 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2500270 0.89 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2501099 0.88 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2499722 0.87 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2501518 0.87 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2496214 0.86 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4637194 0.85 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2498106 0.84 TUBB4A (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937649-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2008-07-02 EP disclosed
WO-2007042546-A1 IMIDAZOLE DERIVATIVES FOR THE TREATMENT OF ANXIETY AND RELATED DISEASES NEUROSEARCH A/S (DK) 2007-04-19 WO disclosed