SCHEMBL7450832

SCHEMBL7450832

O=C(Nc1ccc2ccccc2c1)OC(=O)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.51
NPC1 O15118 8/20 0.51
MAPT P10636 4/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC7 Q8WUI4 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 4/20 0.48
CYP1A2 P05177 2/20 0.48

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
SCHEMBL7342351 0.82 PLAU (0.53) RAB9ANPC1MAPTHDAC1HDAC7
SCHEMBL7335042 0.81 PLAU (0.55)
SCHEMBL28211672 0.80 SMN1; SMN2 (0.47) RAB9ANPC1MAPTHDAC1HDAC7
SCHEMBL5549552 0.79 HDAC1 (0.70) RAB9ANPC1MAPTHDAC1HDAC7
SCHEMBL2096821 0.77 RAB9A (0.62) RAB9ANPC1MAPTMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7450826 0.76 RAB9A (0.60) RAB9ANPC1MAPTHDAC1HDAC7
SCHEMBL2096819 0.76 RAB9A (0.59) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL30216106 0.75 KAT6A (0.60) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL3403454 0.75 KAT6A (0.60) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL24969695 0.74 ALDH1A1 (0.63) RAB9ANPC1MAPTMEN1KMT2A

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-1000018-A2 UROKINASE INHIBITORS Abbott Laboratories (US) 2000-05-17 EP disclosed
WO-1999005096-A2 UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 1999-02-04 WO disclosed