SCHEMBL9526293

SCHEMBL9526293

O=C(c1cncc(Br)c1)N(CCO)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
CYP3A4 P08684 1/20 0.50
LIMK2 P53671 1/20 0.49
CFTR P13569 1/20 0.48
PKM P14618 3/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL10873383 0.87 SMN1; SMN2 (0.42) SMN1; SMN2POLBL3MBTL1ALOX15HTT
SCHEMBL10875519 0.85 L3MBTL1 (0.50) SMN1; SMN2L3MBTL1CYP3A4LIMK2CFTR
SCHEMBL10878001 0.83 ALOX15 (0.43) SMN1; SMN2POLBALOX15HTTMEN1
SCHEMBL9525897 0.82 GAA (0.43) SMN1; SMN2POLBL3MBTL1ALOX15HTT
SCHEMBL10874128 0.81 POLB (0.49) SMN1; SMN2POLBL3MBTL1ALOX15HTT
SCHEMBL8615545 0.80 LIMK2 (0.63) L3MBTL1CYP3A4LIMK2MEN1KMT2A
SCHEMBL10875294 0.80 SMN1; SMN2 (0.43) SMN1; SMN2POLBALOX15HTTLIMK2
SCHEMBL10875034 0.80 POLB (0.47) SMN1; SMN2POLBL3MBTL1ALOX15HTT
SCHEMBL10873541 0.79 SMN1; SMN2 (0.42) SMN1; SMN2POLBALOX15HTTLIMK2
SCHEMBL6505188 0.78 POLB (0.41) SMN1; SMN2POLBL3MBTL1ALOX15HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0301751-B1 PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1993-03-10 EP disclosed
US-4962113-A PLATELET ACTIVATING FACTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1990-10-09 US disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 EP disclosed
EP-0198311-A2 Nicotin amides and their use as fungicidal agents F. HOFFMANN-LA ROCHE AG (CH) 1986-10-22 EP disclosed