SCHEMBL8627801

SCHEMBL8627801

[c]1nncn1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PLD1 Q13393 1/20 0.38
KDM4E B2RXH2 3/20 0.38
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 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
SCHEMBL1558723 0.71 SMN1; SMN2 (0.40) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL1427993 0.69 POLB (0.41) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL11117869 0.69 POLB (0.47) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL5582659 0.67 SMN1; SMN2 (0.40) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL1463930 0.65 RAB9A (0.40) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL8626745 0.64 CYP2A6 (0.46) HTTEP300KAT2B
SCHEMBL8631002 0.63 RAB9A (0.41) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL1461902 0.63 SMN1; SMN2 (0.48) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL1901909 0.63 POLB (0.42) POLBSMN1; SMN2ALDH1A1HTTHSD17B10
SCHEMBL2731431 0.63 NOTUM (0.53) POLBSMN1; SMN2ALDH1A1HTTHSD17B10

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 7 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
EP-0127847-A1 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives HOECHST UK LIMITED (GB) 1984-12-12 EP 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