SCHEMBL9629630

SCHEMBL9629630

CC(=O)C1(C)CCSc2ccccc2NC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.38
GAA P10253 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
CYBB P04839 1/20 0.38
APP P05067 1/20 0.38
ALOX15 P16050 1/20 0.38
SNCA P37840 1/20 0.38
NOX3 Q9HBY0 1/20 0.38
NOX4 Q9NPH5 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
NOTUM Q6P988 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
PABPC1 P11940 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8024749 0.72 ALDH1A1 (0.46) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL9630806 0.69 HSD17B10 (0.43) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL1756087 0.66 HDAC1 (0.51) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL11884267 0.66 MEN1 (0.45) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL7745894 0.66 MEN1 (0.51) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL6527908 0.65 HSD17B10 (0.44) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL9628996 0.64 MAPT (0.53) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL8028203 0.64 ALDH1A1 (0.41) MEN1GAAKMT2AALDH1A1MAPT
SCHEMBL9628776 0.64 ALDH1A1 (0.50) MEN1GAAKMT2AALDH1A1MAPT
Phenothiazine SCHEMBL28750254 0.62 NOX1 (0.71) MEN1GAAKMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340581-B1 PROCESS FOR THE CHLORINATION IN THE NUCLEUS OF AROMATIC HYDROCARBONS BAYER AG (DE) 1992-03-18 EP disclosed
US-4925994-A Process for the ring chlorination of aromatic hydrocarbons BAYER AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed
EP-0340581-A2 Process for the chlorination in the nucleus of aromatic hydrocarbons BAYER AG (DE) 1989-11-08 EP disclosed