SCHEMBL29434148

SCHEMBL29434148

FC(F)c1cc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ MTOR P42345 1/20 0.43

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
SCHEMBL24766463 1.00 CYP1A2 (0.50) CYP1A2MAPTCYP2D6KMT2AMEN1
SCHEMBL17204101 0.84 MAPT (0.61) CYP1A2MAPTCYP2D6KMT2AMEN1
SCHEMBL23299977 0.80 MAPT (0.53) CYP1A2MAPTCYP2D6KMT2AMEN1
SCHEMBL29434159 0.80 MAPT (0.65) CYP1A2MAPTCYP2D6KMT2AMEN1
SCHEMBL29434160 0.80 MAPT (0.65) CYP1A2MAPTCYP2D6KMT2AMEN1
SCHEMBL971891 0.80 MAPT (0.65) CYP1A2MAPTCYP2D6KMT2AMEN1
SCHEMBL24766582 0.79 SMG1 (0.48) CYP1A2MAPTKDM4ELMNATDP1
SCHEMBL29434171 0.79 SMG1 (0.48) CYP1A2MAPTKDM4ELMNATDP1
SCHEMBL913213 0.77 KMT2A (0.63) CYP1A2MAPTCYP2D6KMT2AMEN1
SCHEMBL245771 0.77 MAPT (0.61) CYP1A2MAPTCYP2D6KMT2AMEN1

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-2022060996-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2022-03-24 — — WO disclosed
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