SCHEMBL9380965

SCHEMBL9380965

Cc1nc2n(CC(=O)c3ccccc3CC(=O)c3ccc(F)cc3F)cc(F)cc-2c1CC#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.36
GUSB P08236 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KCNH2 Q12809 2/20 0.35
HTR2A P28223 3/20 0.32
HTR2C P28335 2/20 0.32
P2RX7 Q99572 4/20 0.32
MAPK14 Q16539 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 3/20 0.31
CASR P41180 1/20 0.31
LMNA P02545 2/20 0.31
GRIN2B Q13224 1/20 0.31
GAA P10253 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 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
Hydrochloric Acid SCHEMBL8328815 0.99 CTSD (0.35) CTSDGUSBKMT2AMEN1KCNH2
SCHEMBL8324929 0.82 KMT2A (0.41) CTSDGUSBKMT2AMEN1KCNH2
Bromide SCHEMBL8327518 0.79 MEN1 (0.38) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL9380971 0.75 KMT2A (0.34) CTSDGUSBKMT2AMEN1KCNH2
Hydrochloric Acid SCHEMBL8328819 0.74 KMT2A (0.34) CTSDGUSBKMT2AMEN1KCNH2
SCHEMBL8324947 0.69 CTSD (0.43) CTSDGUSBKMT2AMEN1KCNH2
SCHEMBL8327415 0.68 POLB (0.39) KMT2AMEN1MAPTPOLBLMNA
SCHEMBL8321774 0.68 MGAM (0.40) KMT2AMEN1MAPTPOLBCASR
Hydrochloric Acid SCHEMBL8329391 0.68 RXFP1 (0.40) CTSDGUSBKMT2AMEN1HTR2C
Hydrochloric Acid SCHEMBL8328344 0.64 KMT2A (0.39) KMT2AMEN1MAPTPOLBTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0580616-A1 NEW ACTIVE COMPOUNDS Astra Aktiebolag (SE) 1994-02-02 EP disclosed
WO-1992017477-A1 NEW ACTIVE COMPOUNDS AKTIEBOLAGET ASTRA (SE) 1992-10-15 WO disclosed