SCHEMBL30219730

SCHEMBL30219730

CN(CCc1ccc(C(F)(F)F)c(Cl)c1)Cc1cccc(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.44
▸ PYCR1 P32322 1/20 0.43
▸ ATM Q13315 1/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ DAO P14920 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 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
SCHEMBL24046693 1.00 SIGMAR1 (0.44) SIGMAR1PYCR1ATMCYP1A2MEN1
SCHEMBL25695746 0.83 SIGMAR1 (0.51) SIGMAR1ATMCYP1A2MEN1ALDH1A1
SCHEMBL30219766 0.76 CYP1A2 (0.46) SIGMAR1CYP1A2MEN1CYP2C19KMT2A
SCHEMBL24046370 0.76 CYP1A2 (0.46) SIGMAR1CYP1A2MEN1CYP2C19KMT2A
SCHEMBL8790689 0.73 KDM4E (0.67) SIGMAR1CYP1A2MEN1ALDH1A1KMT2A
SCHEMBL30219772 0.71 TSHR (0.40) SIGMAR1CYP1A2MEN1ALDH1A1MAPT
SCHEMBL24046632 0.71 TSHR (0.40) SIGMAR1CYP1A2MEN1ALDH1A1MAPT
SCHEMBL24046372 0.70 ADRB2 (0.38) DAOCYP3A4CYP2D6
SCHEMBL30219759 0.70 ADRB2 (0.38) DAOCYP3A4CYP2D6
SCHEMBL374305 0.70 ALDH1A1 (0.49) SIGMAR1ATMMEN1ALDH1A1CYP2C19

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
EP-4153175-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2023-03-29 — — EP disclosed
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