SCHEMBL9847394

SCHEMBL9847394

c1nc(N2CC2)nc(N2CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.50
HTR3A P46098 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
SORD Q00796 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
HRH1 P35367 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL9029494 0.87 SMN1; SMN2 (0.52) HRH4MAPTHRH1HTTSMN1; SMN2
SCHEMBL16238117 0.83 PIK3CA (0.56) LMNAPIK3CDPIK3CAPIK3CBHTT
SCHEMBL1136912 0.79 AKT2 (0.47) HRH4HTR3APIK3CBTSHRMEN1
SCHEMBL22924653 0.78 HRH4 (0.59) HRH4HTR3AALDH1A1HSD17B10USP2
SCHEMBL2523906 0.76 MAPK1 (0.53) LMNAPIK3CDPIK3CAPIK3CBHTT
SCHEMBL4316997 0.76 TSHR (0.59) LMNAPIK3CDPIK3CAPIK3CBHTT
SCHEMBL22924655 0.75 HRH4 (0.52) HRH4HTR3ALMNAHTTSMN1; SMN2
SCHEMBL10456578 0.74 ALDH1A1 (0.45) HRH4MAPTHRH1SMN1; SMN2ALDH1A1
SCHEMBL434846 0.73 POLB (0.55) LMNAPIK3CDPIK3CAPIK3CBHRH1
SCHEMBL8981922 0.72 HRH4 (0.51) HRH4HTR3AMAPTLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419890-A2 Stable pharmaceutical formulations for antineoplastic compounds having more than one ethyleneimine group, and method AMERICAN CYANAMID COMPANY (US) 1991-04-03 EP disclosed