SCHEMBL8629253

SCHEMBL8629253

[c]1nnc(Nc2nccs2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
ACP1 P24666 2/20 0.37
PLA2G7 Q13093 1/20 0.36
GRM4 Q14833 1/20 0.36
FDPS P14324 1/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP2C9 P11712 1/20 0.35
EDNRA P25101 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL1369210 0.79 ALDH1A1 (0.50) ALDH1A1TDP1ACP1PLA2G7GRM4
SCHEMBL2546678 0.70 GRM4 (0.47) ALDH1A1TDP1ACP1PLA2G7GRM4
Pyridine SCHEMBL28371825 0.68 ALDH1A1 (0.46) ALDH1A1TDP1ACP1PLA2G7GRM4
SCHEMBL969767 0.67 PDPK1 (0.41) ALDH1A1NPC1RAB9AHSD17B10
SCHEMBL14048344 0.67 ALDH1A1 (0.45) ALDH1A1TDP1ACP1PLA2G7GRM4
SCHEMBL8625316 0.65 HSD17B10 (0.42) ALDH1A1TDP1LMNASMN1; SMN2KDM4E
SCHEMBL14800641 0.64 PLA2G7 (0.46) ALDH1A1TDP1ACP1PLA2G7GRM4
SCHEMBL8628875 0.63 MAPT (0.47) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL17397927 0.63 PLA2G7 (0.49) ALDH1A1TDP1PLA2G7GRM4LMNA
SCHEMBL722560 0.63 RAB9A (0.59) ALDH1A1TDP1PLA2G7LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed