SCHEMBL21311673

SCHEMBL21311673

CC(C)(C)OC(=O)NC1CCCC(c2ccccc2C(F)(F)F)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BTK Q06187 1/20 0.50
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
RBP4 P02753 9/20 0.42
EPHX2 P34913 1/20 0.42
DRD2 P14416 2/20 0.41
HCRTR2 O43614 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
HTR2C P28335 1/20 0.39
CXCR6 O00574 1/20 0.39

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
SCHEMBL20106543 0.86 KMT2A (0.53) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21232389 0.86 KMT2A (0.53) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL20106544 0.84 KMT2A (0.53) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21232390 0.83 KMT2A (0.52) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21306745 0.83 LMNA (0.44) KMT2AL3MBTL1KDM1AMAOBLMNA
SCHEMBL20106566 0.83 KMT2A (0.52) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21307080 0.83 LMNA (0.44) KMT2AL3MBTL1KDM1AMAOBLMNA
SCHEMBL21232478 0.81 BTK (0.60) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21232399 0.81 BTK (0.60) KMT2AL3MBTL1BTKKDM1AMAOB
SCHEMBL21232569 0.79 BTK (0.52) KMT2AL3MBTL1BTKKDM1AMAOB

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-2019165290-A1 PYRIDINE-SULFONAMIDE COMPOUNDS AND THEIR USE AGAINST PAIN AND RELATED CONDITIONS GENENTECH, INC. (US) 2019-08-29 WO disclosed