SCHEMBL9253885

SCHEMBL9253885

COC(=O)CCn1nnc(C2CCN(c3ccc(C(=N)N)cn3)CC2)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.44
TSHR P16473 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
TMPRSS15 P98073 4/20 0.39
HRH3 Q9Y5N1 7/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 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
SCHEMBL9253933 0.89 UBE2T (0.47) UBE2TTSHRHPGDMAPTTP53
SCHEMBL9257817 0.87 HPGD (0.43) TSHRHPGDHSD17B10MAPTTP53
SCHEMBL9253831 0.83 UBE2T (0.40) UBE2TTSHRHPGDMAPTTMPRSS15
SCHEMBL9248315 0.77 UBE2T (0.44) UBE2TTSHRHPGDMAPTTMPRSS15
SCHEMBL9253862 0.75 ITGB3 (0.53) ALDH1A1
SCHEMBL9253767 0.74 UBE2T (0.43) UBE2TTSHRHPGDMAPTTMPRSS15
SCHEMBL9254596 0.74 ITGB3 (0.50) UBE2TTSHRMAPTTMPRSS15HRH3
Hydrochloric Acid SCHEMBL9169455 0.73 TMPRSS15 (0.56) UBE2THPGDTMPRSS15ALDH1A1
SCHEMBL9254517 0.71 ITGB3 (0.49) TMPRSS15HRH3
SCHEMBL9259216 0.71 TSHR (0.68) TSHRHPGDHSD17B10MAPTTP53

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