SCHEMBL8632031

SCHEMBL8632031

CC(=O)NCc1nn[c]s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
ALOX15 P16050 1/20 0.34
MAPT P10636 4/20 0.33
SETDB1 Q15047 4/20 0.33
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOTUM Q6P988 1/20 0.32
VHL P40337 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MEN1 O00255 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL11052382 0.82 TSHR (0.36) SMN1; SMN2HTTHSD17B10POLB
SCHEMBL10729253 0.81
SCHEMBL11049343 0.77 KDM4E (0.44) KDM4EKMT2AALDH1A1HTTHDAC1
SCHEMBL8629930 0.74
SCHEMBL4771732 0.68 MME (0.44) NPSR1ALOX15MAPTSETDB1RAB9A
SCHEMBL970034 0.68 TSHR (0.40) MAPTKDM4EKMT2ASMN1; SMN2ALDH1A1
SCHEMBL8625343 0.67
SCHEMBL8630597 0.67 NPSR1 (0.42) NPSR1ALOX15MAPTSETDB1RAB9A
SCHEMBL423025 0.66
SCHEMBL2086378 0.66 NPSR1 (0.44) NPSR1ALOX15MAPTSETDB1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4205166-A 7-Substituted-3-aminoalkyl-, acylaminoalkyl-, or hydroxyalkyl-substituted heterocyclic thiomethyl-3-cephem-4-carboxylic acid derivatives and preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-05-27 US claimed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4399135-A ANTIBIOTICS RHONE-POULENC INDUSTRIES (FR) 1983-08-16 US disclosed
US-4385181-A CHAMICAL INTERMEDIATES FOR CEPHALOSPORINS RHONE POULENC INDUSTRIES (FR) 1983-05-24 US disclosed
US-4307116-A BACTERICIDES RHONE-POULENC INDUSTRIES (FR) 1981-12-22 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed