SCHEMBL24046632

SCHEMBL24046632

CC(C)(NCCc1ccc(C(F)(F)F)c(Cl)c1)c1cccc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ DAO P14920 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ TMEM97 Q5BJF2 2/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ PDE2A O00408 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ DDR1 Q08345 1/20 0.32

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
SCHEMBL30219772 1.00 TSHR (0.40) TSHRMAPK1DAOMRGPRX4KCNH2
SCHEMBL25698437 0.85 DAO (0.37) DAOKCNH2TMEM97ADRB2PDE2A
SCHEMBL25695740 0.84 CYP3A4 (0.41) TSHRMAPK1HTR1ATAAR1CYP19A1
SCHEMBL24046676 0.83 TSHR (0.54) TSHRMAPK1KCNH2HTR1ACNR1
SCHEMBL30219792 0.83 TSHR (0.54) TSHRMAPK1KCNH2HTR1ACNR1
SCHEMBL30219766 0.77 CYP1A2 (0.46) DAOMRGPRX4ROCK1CYP19A1MEN1
SCHEMBL24046370 0.77 CYP1A2 (0.46) DAOMRGPRX4ROCK1CYP19A1MEN1
SCHEMBL24046372 0.74 ADRB2 (0.38) DAOKCNH2TMEM97ADRB2CYP3A4
SCHEMBL30219759 0.74 ADRB2 (0.38) DAOKCNH2TMEM97ADRB2CYP3A4
SCHEMBL30219774 0.73 TSHR (0.41) TSHRMAPK1MRGPRX4MAPTMEN1

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-2021236885-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-11-25 — — WO disclosed
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