SCHEMBL31057929

SCHEMBL31057929

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SHMT1 P34896 7/20 0.44
▸ SHMT2 P34897 4/20 0.44
▸ ACKR3 P25106 2/20 0.43
▸ GPR4 P46093 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ HRH2 P25021 3/20 0.39
▸ HRH1 P35367 3/20 0.39
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL31057641 0.93 GPR4 (0.45) SHMT1ACKR3GPR4GPR119EPHX2
SCHEMBL31057975 0.92 SHMT1 (0.42) SHMT1SHMT2LTA4HSIGMAR1
SCHEMBL31057873 0.89 SIGMAR1 (0.43) SHMT1SHMT2ACKR3SIGMAR1
SCHEMBL31057939 0.86 SIGMAR1 (0.42) SHMT1SHMT2ACKR3GPR4CYP1A2
SCHEMBL31057864 0.86 ACKR3 (0.49) SHMT1SHMT2ACKR3GPR4GPR119
SCHEMBL31057868 0.84 SIGMAR1 (0.43) SHMT1ACKR3SIGMAR1
SCHEMBL31057883 0.83 SIGMAR1 (0.45) SHMT1ACKR3SIGMAR1
SCHEMBL31578816 0.81 ACKR3 (0.47) SHMT1SHMT2ACKR3GPR4GPR119
SCHEMBL31578853 0.80 ACKR3 (0.48) ACKR3GPR4GPR119EPHX2HRH2
SCHEMBL31578739 0.80 ACKR3 (0.51) SHMT2ACKR3GPR4EPHX2

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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