SCHEMBL28032229

SCHEMBL28032229

COC(=O)c1c(-c2ccccc2)cn(-c2ccccc2OC)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41

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
SCHEMBL28031656 0.87 HTT (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6560894 0.85 LMNA (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28078513 0.84 MEN1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28032227 0.82 HTT (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28031631 0.81 PTPN11 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28032237 0.81 HTT (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28032234 0.80 MEN1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28031775 0.80 TP53 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28032232 0.79 HTT (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28031624 0.79 GAA (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105017126-B Perfluoroalkyl azole derivatives and its synthetic method 上海麦克林生化科技有限公司 2018-01-19 CN disclosed
CN-105646322-A Perfluoroalkyl pyrrole derivative and synthesis method thereof 上海大学 2016-06-08 CN disclosed
CN-105017126-A Perfluoroalkyl pyrrole derivative and synthesis method thereof UNIV SHANGHAI 2015-11-04 CN disclosed