SCHEMBL27150691

SCHEMBL27150691

COC(=O)Cc1cc(OC(F)(F)F)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ CSNK1D P48730 1/20 0.38
▸ IDH1 O75874 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 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
SCHEMBL7886771 0.84 MEN1 (0.47) KMT2AMEN1SMN1; SMN2L3MBTL1BACE1
SCHEMBL29853520 0.83 HPGD (0.52) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL898733 0.83 HPGD (0.52) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL18908923 0.80 GPR3 (0.41) POLBALDH1A1GAATHRB
SCHEMBL16930305 0.79 HTT (0.44) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL15524132 0.79 PPARG (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL26810800 0.78 ALDH1A1 (0.39) KMT2ASMN1; SMN2L3MBTL1ALDH1A1GAA
SCHEMBL19925456 0.77 SMN1; SMN2 (0.42) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5954084 0.77 HPGD (0.42) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL30636513 0.77 GPR3 (0.41) KMT2AMEN1POLBALDH1A1GAA

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
WO-2024043334-A1 NOVEL PIPERAZINE DERIVATIVE OR SALT THEREOF AND PHARMACEUTICAL COMPOSITION 富士フイルム株式会社 2024-02-29 — — WO disclosed
Send feedback