SCHEMBL19669891

SCHEMBL19669891

CN(C)CC#CC(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.41
CHRM2 P08172 3/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM3 P20309 3/20 0.41
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL19669893 0.81 ALDH1A1 (0.33) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL14079983 0.77 CHRM1 (0.45) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL18133908 0.77 EPHX1 (0.31) POLBRAB9A
SCHEMBL19104254 0.77 KDM4C (0.31) POLBRAB9A
SCHEMBL26075251 0.73 CHRM1 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL18904831 0.72 CHRM1 (0.45) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL19669889 0.72 KDM4E (0.31) KDM4EALDH1A1
SCHEMBL19668991 0.72 CHRM1 (0.43) CHRM1CHRM2CHRM4CHRM5CHRM3
SCHEMBL19669892 0.69 TSHR (0.32) ALDH1A1
SCHEMBL26073790 0.69 CYP2D6 (0.42) CHRM1CHRM2CHRM4CHRM5CHRM3

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-9834571-B2 Compounds for inhibiting cell proliferation in EGFR-driven cancers ARIAD PHARMACEUTICALS, INC. (US) 2017-12-05 US disclosed