SCHEMBL2559156

SCHEMBL2559156

CNC(=O)COc1c(Br)cccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ PDK2 Q15119 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
SCHEMBL15330937 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL2561362 0.86 CA1 (0.38) ALDH1A1SMN1; SMN2CA1CA2MAPT
SCHEMBL15329904 0.83 MAPT (0.40) ALDH1A1CA1CA2MAPTCYP1A2
SCHEMBL2552641 0.83 MAPT (0.40) ALDH1A1CA1CA2MAPTCYP1A2
SCHEMBL2561402 0.82 PTGDR2 (0.57) ALDH1A1CA1CA2POLBPTGDR2
SCHEMBL2555240 0.82 SRC (0.56) ALDH1A1SMN1; SMN2CA1CA2CYP1A2
SCHEMBL2558062 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C19
SCHEMBL15330673 0.81 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2CYP1A2CYP2C19CYP3A4
SCHEMBL2556019 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2CA1CA2CYP1A2
SCHEMBL2556276 0.81 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTCYP1A2CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO disclosed
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