SCHEMBL4636183

SCHEMBL4636183

COc1cccc(C(=O)c2cn(-c3cccc(-c4cccc(F)c4OC)c3)cn2)c1.Fc1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 11/20 0.42
TUBB P07437 11/20 0.42
TUBA3C P0DPH7 11/20 0.42
TUBA1B P68363 11/20 0.42
TUBA4A P68366 11/20 0.42
TUBB4B P68371 11/20 0.42
TUBB3 Q13509 11/20 0.42
TUBB2A Q13885 11/20 0.42
TUBB8 Q3ZCM7 11/20 0.42
TUBA3E Q6PEY2 11/20 0.42
TUBA1A Q71U36 11/20 0.42
TUBA1C Q9BQE3 11/20 0.42
TUBB6 Q9BUF5 11/20 0.42
TUBB2B Q9BVA1 11/20 0.42
TUBB1 Q9H4B7 11/20 0.42
FGFR2 P21802 1/20 0.38
KDR P35968 1/20 0.38
USP30 Q70CQ3 1/20 0.37
ALDH1A1 P00352 1/20 0.37
FGFR4 P22455 1/20 0.37

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
SCHEMBL4635994 0.96 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2501099 0.93 TUBB4A (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2499569 0.93 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2495983 0.92 TUBB4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2499722 0.90 TUBB4A (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2496214 0.89 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4637194 0.88 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2500270 0.85 TUBB4A (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2501518 0.84 TUBB4A (0.42) 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