SCHEMBL9206563

SCHEMBL9206563

CC(=O)NC1Cc2ccc(C(=O)c3cccnc3)cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 2/20 0.48
CA7 P43166 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA9 Q16790 1/20 0.47
HTT P42858 1/20 0.44
HDAC8 Q9BY41 5/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TBXA2R P21731 1/20 0.41
TBXAS1 P24557 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIA2 P42262 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MCHR1 Q99705 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL9199373 0.81 F7 (0.45) CA1CA2CA12CA7CA14
SCHEMBL11370901 0.81 ALDH1A1 (0.47) HTTALDH1A1CYP1A2SMN1; SMN2
Charcoal, Activated SCHEMBL10444782 0.79 TBXAS1 (0.55) TBXA2RTBXAS1
SCHEMBL10444781 0.79 TBXAS1 (0.55) TBXA2RTBXAS1
SCHEMBL8883856 0.79 TBXAS1 (0.68) TBXA2RTBXAS1
Bicarbonate SCHEMBL9208564 0.79 TBXAS1 (0.57) TBXA2RTBXAS1
SCHEMBL8883848 0.79 TBXAS1 (0.68) TBXA2RTBXAS1
SCHEMBL9210620 0.78 TBXA2R (0.56) HDAC8ALDH1A1TBXA2RTBXAS1CYP1A2
SCHEMBL9208561 0.78 TBXAS1 (0.65) TBXA2RTBXAS1
SCHEMBL8885287 0.78 TBXAS1 (0.65) TBXA2RTBXAS1

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-0397044-B1 Arylsulfonamides, medicines containing these compounds and process for their preparation THOMAE GMBH DR K (DE) 1995-12-27 EP disclosed
EP-0397044-A2 Arylsulfonamides, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1990-11-14 EP disclosed