SCHEMBL8918770

SCHEMBL8918770

CCc1ncnc(N[C@H]2CC[C@@H](C(=O)N3CCc4ccccc4C3)CC2)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
KEAP1 Q14145 1/20 0.48
CHRM4 P08173 9/20 0.47
BTK Q06187 4/20 0.47
CHRM2 P08172 2/20 0.45
CHRM5 P08912 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8914933 0.76 BTK (0.47) BTK
SCHEMBL8746756 0.76 BTK (0.41) BTK
SCHEMBL8746770 0.76 BTK (0.47) BTK
SCHEMBL8746781 0.74 BTK (0.46) BTK
SCHEMBL8746780 0.74 BTK (0.46) BTK
SCHEMBL7950482 0.73 ALDH1A1 (0.49) MAPTHTTBTKMEN1ALDH1A1
SCHEMBL8488266 0.73 KMT2A (0.41) POLBMAPTBTKMEN1ALDH1A1
SCHEMBL8488267 0.73 KMT2A (0.41) POLBMAPTBTKMEN1ALDH1A1
SCHEMBL8483787 0.72 BTK (0.37) CHRM4BTK
SCHEMBL8766684 0.72 BTK (0.37) CHRM4BTK

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-5691321-A INSECTICIDES, MITICIDES, PARASITICIDES HOECHST SCHERING AGREVO GMBH (DE) 1997-11-25 US disclosed