SCHEMBL19788985

SCHEMBL19788985

C#CC(C)(O)c1nccn1CCO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.31
ADORA2B P29275 1/20 0.31
FPR2 P25090 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL17603099 0.79 DUT (0.36)
SCHEMBL31708156 0.78 KMT2A (0.49) KMT2AFDPSLMNAALDH1A1
SCHEMBL15193512 0.78 KMT2A (0.49) KMT2AFDPSLMNAALDH1A1
SCHEMBL14459652 0.76 KMT2A (0.36) KMT2AFDPSLMNAADORA2BFPR2
SCHEMBL26196835 0.73 KDR (0.32) KMT2AFDPSFPR2ALDH1A1POLB
SCHEMBL440676 0.66
SCHEMBL9421338 0.66 ESR1 (0.44) KMT2AFDPSLMNAADORA2BFPR2
Hydrochloric Acid SCHEMBL15436961 0.65 KMT2A (0.60) KMT2AFDPSLMNAALDH1A1POLB
SCHEMBL28640086 0.64
SCHEMBL17544816 0.64 KMT2A (0.43) KMT2AFDPSLMNAALDH1A1

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-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 US disclosed