SCHEMBL9248909

SCHEMBL9248909

N=C(N)c1ccc(N2CCC(c3nnc(CCC(=O)O)o3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.47
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HTT P42858 1/20 0.40
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
MAPT P10636 2/20 0.38
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 5/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
F10 P00742 1/20 0.36
PKM P14618 2/20 0.36

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
SCHEMBL9248315 0.89 UBE2T (0.44) UBE2TALDH1A1NPC1RAB9AKMT2A
SCHEMBL9254446 0.86 ITGB3 (0.57) ITGB3ITGA2BHTTALDH1A1NPC1
SCHEMBL9250984 0.76 UBE2T (0.46) UBE2TITGB3ITGA2BKDM1AALDH1A1
SCHEMBL9253933 0.75 UBE2T (0.47) UBE2TITGB3ITGA2BKDM1AALDH1A1
SCHEMBL9248696 0.75 PKM (0.43) ITGB3ITGA2BALDH1A1NPC1RAB9A
SCHEMBL9254596 0.75 ITGB3 (0.50) UBE2TITGB3ITGA2BKDM1AALDH1A1
Hydrochloric Acid SCHEMBL9170047 0.71 ITGB3 (0.60) UBE2TITGB3ITGA2BALDH1A1NPC1
SCHEMBL9178068 0.69 UBE2T (0.52) UBE2TITGB3ITGA2BKDM1A
Hydrochloric Acid SCHEMBL9175583 0.68 UBE2T (0.51) UBE2TITGB3ITGA2BKDM1AHRH3
Hydrochloric Acid SCHEMBL9176429 0.68 UBE2T (0.51) UBE2TITGB3ITGA2BKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed