SCHEMBL11037446

SCHEMBL11037446

CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OC)=C(CI)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.56
▸ HTR2C P28335 1/20 0.56
▸ MAPT P10636 3/20 0.55
▸ PPARG P37231 2/20 0.55
▸ SLC22A6 Q4U2R8 2/20 0.55
▸ SLC22A8 Q8TCC7 2/20 0.55
▸ SLC22A11 Q9NSA0 2/20 0.55
▸ ALB P02768 1/20 0.55
▸ KMT2A Q03164 1/20 0.53
▸ TDP1 Q9NUW8 4/20 0.52
▸ APEX1 P27695 2/20 0.52
▸ PTGS1 P23219 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ ABCC4 O15439 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RECQL P46063 1/20 0.52

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
SCHEMBL11037445 1.00 NR1I2 (0.56) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9826590 0.95 NR1I2 (0.63) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10337520 0.95 NR1I2 (0.63) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9573660 0.95 NR1I2 (0.63) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9573654 0.95 NR1I2 (0.63) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10337581 0.95 NR1I2 (0.63) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL10861182 0.95 NR1I2 (0.63) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL11039284 0.95 NR1I2 (0.54) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL11039282 0.95 NR1I2 (0.54) NR1I2HTR2CMAPTPPARGSLC22A6
SCHEMBL9743426 0.95 NR1I2 (0.54) NR1I2HTR2CMAPTPPARGSLC22A6

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
EP-0034924-B1 PROCESS FOR PREPARING 3-IODOMETHYL CEPHALOSPORINS ELI LILLY AND COMPANY (US) 1984-07-04 — — EP disclosed
US-4266049-A Process for 3-iodomethyl cephalosporins ELI LILLY AND COMPANY (US) 1981-05-05 — — US disclosed
Send feedback