SCHEMBL7982053

SCHEMBL7982053

CCSC(=N)Nc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGIR P43119 1/20 0.43
MEN1 O00255 3/20 0.42

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
SCHEMBL7788119 0.83 MAPT (0.44) ALDH1A1TSHRGAAMAPTHPGD
SCHEMBL1387536 0.83 POLB (0.47) ALDH1A1LMNATDP1NOS3NOS1
SCHEMBL7780818 0.82 SMN1; SMN2 (0.45) HPGDMEN1KMT2ALMNASMN1; SMN2
SCHEMBL1387773 0.81 ALDH1A1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7780812 0.81 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7785361 0.81 MEN1 (0.51) ALDH1A1GAAMAPTHSD17B10MEN1
SCHEMBL7670022 0.80 ALDH1A1 (0.48) ALDH1A1TSHRGAAMAPTMEN1
Bromide SCHEMBL11804669 0.79 ALDH1A1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
Iodide SCHEMBL6699561 0.79 ALDH1A1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7787971 0.79 SMN1; SMN2 (0.50) HDAC3HDAC1HDAC2HDAC8ALDH1A1

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
US-6297276-B1 Substituted urea and isothiourea derivatives as no synthase inhibitors GLAXOSMITHKLINE 2001-10-02 US disclosed
US-6225305-B1 Substituted urea and isothiorea derivatives as no synthase inhibitors GLAXO WELLCOME INC. 2001-05-01 US disclosed
EP-1056433-A1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-12-06 EP disclosed
WO-2000038638-A1 DYEING METHOD USING A SPECIFIC ACTIVE METHYLENE COMPOUND AND A COMPOUND SELECTED AMONG A SPECIFIC ALDEHYDE, A SPECIFIC KETONE, A QUINONE AND A DI-IMINO-ISOINDOLINE OR 3-AMINO-ISOINDOLONE DERIVATIVE L'OREAL (FR) 2000-07-06 WO disclosed