SCHEMBL8488266

SCHEMBL8488266

CCOC(=O)[C@H]1CC[C@@H](Nc2ncnc(CC)c2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
BTK Q06187 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 1/20 0.40
TSHR P16473 3/20 0.39
KDM4E B2RXH2 3/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
HSD11B1 P28845 1/20 0.38
GAA P10253 1/20 0.38
CCRL2 O00421 1/20 0.38

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
SCHEMBL8488267 1.00 KMT2A (0.41) KMT2AMEN1BTKRAB9AALDH1A1
SCHEMBL8746780 0.91 BTK (0.46) BTKKDM4E
SCHEMBL8746781 0.91 BTK (0.46) BTKKDM4E
SCHEMBL8746758 0.86 BTK (0.44) BTKCNR1CNR2
SCHEMBL8754074 0.86 BTK (0.38) BTKKDM4E
SCHEMBL8746757 0.86 BTK (0.44) BTKCNR1CNR2
SCHEMBL8754064 0.86 BTK (0.38) BTKKDM4E
SCHEMBL8914933 0.85 BTK (0.47) BTK
SCHEMBL8746756 0.85 BTK (0.41) BTK
SCHEMBL8746770 0.85 BTK (0.47) BTK

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-5889012-A INSECTICIDE, ACARICIDES, FUNGICIDES HOECHST-SCHERING AGREVO GMBH (DE) 1999-03-30 US disclosed