SCHEMBL8631002

SCHEMBL8631002

Oc1nn[c]n1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
PLD1 Q13393 1/20 0.36
POLB P06746 1/20 0.35
EP300 Q09472 1/20 0.35
KAT2B Q92831 1/20 0.35
ALKBH2 Q6NS38 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 3/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
BACE1 P56817 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 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
SCHEMBL8629698 0.73 GAA (0.34) RAB9ASMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL11625717 0.64 POLB (0.50) RAB9ASMN1; SMN2PLD1POLBEP300
SCHEMBL8627801 0.63 POLB (0.41) RAB9ASMN1; SMN2PLD1POLBEP300
SCHEMBL8086526 0.63 GRM5 (0.46) RAB9ASMN1; SMN2PLD1POLBEP300
SCHEMBL1463930 0.63 RAB9A (0.40) RAB9ASMN1; SMN2PLD1POLBEP300
SCHEMBL17104893 0.62 RAB9A (0.55) RAB9ASMN1; SMN2PLD1POLBEP300
SCHEMBL6420520 0.61 POLB (0.42) RAB9ASMN1; SMN2PLD1POLBEP300
SCHEMBL1461902 0.61 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2PLD1POLBEP300
SCHEMBL1558723 0.60 SMN1; SMN2 (0.40) RAB9ASMN1; SMN2PLD1POLBEP300
SCHEMBL9697055 0.60 RAB9A (0.44) RAB9ASMN1; SMN2PLD1POLBEP300

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