SCHEMBL20730760

SCHEMBL20730760

CC(C)CCCNCCCNCC(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
GLA P06280 1/20 0.32
KMT2A Q03164 1/20 0.32
CA3 P07451 2/20 0.31
CA5A P35218 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL435993 0.96 LMNA (0.33) LMNA
SCHEMBL438907 0.89 LMNA (0.37) LMNA
SCHEMBL13995390 0.82 XPO1 (0.34)
SCHEMBL9768597 0.82 CYP2C19 (0.45) CYP2C19MEN1GLAKMT2ACA3
SCHEMBL20730797 0.81 LMNA (0.32) LMNA
SCHEMBL25278640 0.80 LMNA (0.48) MEN1KMT2ALMNA
SCHEMBL25232858 0.80 LMNA (0.48) MEN1KMT2ALMNA
SCHEMBL14064945 0.79 CA5A (0.44) CYP2C19MEN1GLAKMT2ACA3
SCHEMBL277921 0.79 LMNA (0.45) CYP2C19MEN1GLAKMT2ACA3
Hydrochloric Acid SCHEMBL25233820 0.79 LMNA (0.46) MEN1KMT2ALMNA

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
WO-2019032941-A1 LINCOSAMIDE ANTIBIOTICS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-02-14 WO disclosed