SCHEMBL31057641

SCHEMBL31057641

CCOC(=O)Cc1csc(-c2ccc(OCCN3CCN(C(=O)OC(C)(C)C)CC3)cc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR4 P46093 1/20 0.45
▸ ACKR3 P25106 2/20 0.44
▸ SHMT1 P34896 1/20 0.42
▸ HRH2 P25021 8/20 0.42
▸ HRH1 P35367 8/20 0.42
▸ CYP4F2 P78329 1/20 0.42
▸ CYP4A11 Q02928 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ EPHX2 P34913 1/20 0.40

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
SCHEMBL31057929 0.93 SHMT1 (0.44) GPR4ACKR3SHMT1HRH2HRH1
SCHEMBL31057864 0.90 ACKR3 (0.49) GPR4ACKR3SHMT1GPR119KDM4E
SCHEMBL31057939 0.89 SIGMAR1 (0.42) GPR4ACKR3SHMT1CYP1A2CYP2C9
SCHEMBL31057868 0.88 SIGMAR1 (0.43) ACKR3SHMT1SIGMAR1KDM4EALDH1A1
SCHEMBL31578853 0.87 ACKR3 (0.48) GPR4ACKR3HRH2HRH1CYP4F2
SCHEMBL31057883 0.86 SIGMAR1 (0.45) ACKR3SHMT1SIGMAR1DRD3
SCHEMBL31057975 0.84 SHMT1 (0.42) SHMT1SIGMAR1ALDH1A1DRD3
SCHEMBL31057873 0.81 SIGMAR1 (0.43) ACKR3SHMT1SIGMAR1ALDH1A1DRD3
SCHEMBL31578793 0.79 ACKR3 (0.48) GPR4ACKR3HRH2HRH1CYP4F2
SCHEMBL31578942 0.77 ACKR3 (0.53) GPR4ACKR3HRH2HRH1CYP4F2

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-2024173718-A2 HETEROBIFUNCTIONAL BINDERS OF KLHDC2 ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2024-08-22 — — WO disclosed
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