SCHEMBL11564693

SCHEMBL11564693

[CH2]c1sccc1NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 1/20 0.48
NPC1 O15118 2/20 0.39
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
PSMB8 P28062 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MIF P14174 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CYP17A1 P05093 1/20 0.36
ATR Q13535 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL9291119 0.83 METAP1 (0.50) METAP1NPC1CA1CA12CA9
SCHEMBL14510093 0.82 METAP1 (0.49) METAP1NPC1CA1CA12CA9
SCHEMBL395773 0.81 METAP1 (0.48) METAP1NPC1CA1CA12CA9
SCHEMBL437283 0.81 METAP1 (0.48) METAP1NPC1CA1CA12CA9
SCHEMBL7462727 0.80 NPC1 (0.46) METAP1NPC1RXFP1HPGDSMN1; SMN2
SCHEMBL429230 0.79 PTPN2 (0.57) METAP1NPC1RXFP1HPGDSMN1; SMN2
SCHEMBL7461547 0.79 METAP1 (0.47) METAP1NPC1CA1CA12CA9
SCHEMBL7457637 0.79 NPSR1 (0.50) METAP1NPC1RXFP1HPGDSMN1; SMN2
SCHEMBL2106155 0.78 NPC1 (0.66) NPC1HPGDSMN1; SMN2LMNAPOLB
SCHEMBL1680515 0.78 METAP1 (0.46) METAP1NPC1CA1CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-4008231-A Preparation of 3-methoxymethylcephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed