SCHEMBL30872307

SCHEMBL30872307

[2H]C([2H])(OCCC1CCNCC1)C1CCN(C(=O)c2ccc(Cl)c(N3CCC(=O)NC3=O)c2)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD11B1 P28845 2/20 0.34
▸ TNKS O95271 2/20 0.34
▸ PARP1 P09874 2/20 0.34
▸ TPSAB1 Q15661 1/20 0.34
▸ TPSD1 Q9BZJ3 1/20 0.34
▸ TPSG1 Q9NRR2 1/20 0.34
▸ PARP10 Q53GL7 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ CCR3 P51677 1/20 0.33
▸ BCL9 O00512 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL30014987 0.92 MGLL (0.39) MGLLTSHRHSD11B1TNKSPARP1
SCHEMBL27123888 0.92 MGLL (0.39) MGLLTSHRHSD11B1TPSAB1TPSD1
SCHEMBL31697885 0.92 MGLL (0.39) MGLLTSHRHSD11B1TPSAB1TPSD1
SCHEMBL30014221 0.88 ITGB3 (0.38) MGLLTSHRHSD11B1TPSAB1TPSD1
SCHEMBL27125679 0.88 ITGB3 (0.38) MGLLTSHRHSD11B1TPSAB1TPSD1
SCHEMBL27124624 0.87 MGLL (0.41) MGLLTSHRHSD11B1TPSAB1TPSD1
SCHEMBL30872318 0.86 ENPP2 (0.40) —
SCHEMBL31677332 0.86 MGLL (0.34) MGLLTSHRHSD11B1CCR3SMYD3
SCHEMBL31255494 0.86 TPSAB1 (0.42) MGLLTSHRHSD11B1TPSAB1TPSD1
SCHEMBL27137557 0.84 LSS (0.35) MGLLTSHRHSD11B1TPSAB1TPSD1

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-2024083255-A1 BENZYL OR THIENYLMETHYLENE-SUBSTITUTED AMINOQUINAZOLINE DERIVATIVE AND USE THEREOF AS SOS1 DEGRADATION AGENT 上海领泰生物医药科技有限公司 2024-04-25 — — WO disclosed
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