SCHEMBL10857458

SCHEMBL10857458

CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O[Si](C)(C)C)=C(CI)CS[C@H]12)c1cccc(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ KMT2A Q03164 1/20 0.52
▸ MAPT P10636 5/20 0.52
▸ ALB P02768 1/20 0.52
▸ PPARG P37231 1/20 0.52
▸ SLC22A6 Q4U2R8 1/20 0.52
▸ SLC22A8 Q8TCC7 1/20 0.52
▸ SLC22A11 Q9NSA0 1/20 0.52
▸ TDP1 Q9NUW8 7/20 0.51
▸ HSD17B10 Q99714 5/20 0.51
▸ APEX1 P27695 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ POLB P06746 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL10857464 1.00 NR1I2 (0.54) NR1I2HTR2CKMT2AMAPTALB
SCHEMBL10855104 0.87 NR1I2 (0.71) NR1I2HTR2CKMT2AMAPTALB
SCHEMBL10855108 0.87 NR1I2 (0.71) NR1I2HTR2CKMT2AMAPTALB
SCHEMBL10852892 0.83 NR1I2 (0.51) NR1I2HTR2CKMT2AMAPTALB
SCHEMBL10852890 0.83 NR1I2 (0.51) NR1I2HTR2CKMT2AMAPTALB
SCHEMBL8193919 0.83 NR1I2 (0.57) NR1I2HTR2CKMT2AMAPTALB
SCHEMBL11039282 0.82 NR1I2 (0.54) NR1I2HTR2CKMT2AMAPTALB
SCHEMBL11039284 0.82 NR1I2 (0.54) NR1I2HTR2CKMT2AMAPTALB
SCHEMBL10857444 0.81 MAPT (0.77) NR1I2HTR2CKMT2AMAPTALB
SCHEMBL10857452 0.81 MAPT (0.77) NR1I2HTR2CKMT2AMAPTALB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4577014-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1986-03-18 — — US disclosed
US-4501739-A BACTERICIDES, ANTIBIOTICS ELI LILLY AND COMPANY (US) 1985-02-26 — — US disclosed
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