SCHEMBL9751015

SCHEMBL9751015

COC(=O)c1c(-c2ccc(F)cc2)cn(-c2ccccc2)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ABCB1 P08183 1/20 0.60
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HMGCR P04035 1/20 0.46
HTT P42858 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL28697581 0.91 MEN1 (0.69) MEN1KMT2AABCB1KDM4EHPGD
SCHEMBL28694855 0.90 ABCB1 (0.74) MEN1KMT2AABCB1SLC6A4SLC6A3
SCHEMBL28697576 0.88 ABCB1 (0.60) MEN1KMT2AABCB1SLC6A4SLC6A3
SCHEMBL28672791 0.87 MEN1 (0.61) MEN1KMT2AABCB1KDM4EHPGD
SCHEMBL10506117 0.87 ABCB1 (0.65) MEN1KMT2AABCB1KDM4EHPGD
SCHEMBL28694853 0.84 MEN1 (0.60) MEN1KMT2AABCB1KDM4EHPGD
SCHEMBL2880014 0.82 ALDH1A1 (0.61) MEN1KMT2AABCB1KDM4EHPGD
SCHEMBL28931713 0.82 MEN1 (0.58) MEN1KMT2AABCB1KDM4EHPGD
SCHEMBL22923862 0.80 MEN1 (0.56) MEN1KMT2AABCB1SLC6A4SLC6A3
SCHEMBL28673292 0.80 AR (0.51) MEN1KMT2ASLC6A4SLC6A3KDM4E

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
CN-113943242-A Preparation method of polysubstituted pyrrole compound 浙江工业大学 2022-01-18 CN disclosed
US-5055484-A Anticholesterol and antilipemic agent HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed