SCHEMBL8484583

SCHEMBL8484583

O=C(CCC1CCCC[N]1)N1CCN(C2CCNCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
HIF1A Q16665 1/20 0.40
HRH3 Q9Y5N1 6/20 0.39
POLB P06746 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.37
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37

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
SCHEMBL8486542 0.93 KMT2A (0.38) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL8483277 0.85 KMT2A (0.45) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL8481052 0.81 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL26067161 0.78 ITGB3 (0.54) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL8484117 0.77 ACHE (0.57) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL8482074 0.77 KDM4E (0.41) KMT2AALDH1A1KDM4EMAPTHRH3
SCHEMBL4688358 0.76 ATM (0.47) KMT2AMEN1ALDH1A1TP53
SCHEMBL11490502 0.74 GNAI3 (0.51) KMT2AMEN1ALDH1A1KDM4EHRH3
SCHEMBL8628661 0.73 ATM (0.52) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL24802116 0.70 MEN1 (0.51) KMT2AMEN1ALDH1A1KDM4EMAPT

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
US-5922717-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1999-07-13 US disclosed