SCHEMBL9547102

SCHEMBL9547102

C=CCOC(=O)NCC(=N)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 2/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
GAA P10253 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CASP1 P29466 4/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL16329686 0.79 TSHR (0.46) TSHRSMN1; SMN2ALDH1A1NPSR1MAPT
Hydrochloric Acid SCHEMBL9547190 0.78 ACHE (0.37) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL20793437 0.77 MEN1 (0.38) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1069147 0.76
SCHEMBL8868580 0.76 MEN1 (0.36) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL9382302 0.76 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL10458335 0.75 ALDH1A1 (0.47) TSHRSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL19555331 0.75 ACHE (0.51) ALDH1A1
SCHEMBL6993745 0.74 MAPT (0.43) TSHRSMN1; SMN2ALDH1A1NPSR1MEN1
SCHEMBL4680857 0.74 CASP1 (0.45) MEN1KMT2AMAPTCACNA1BAPBA1

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-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed