SCHEMBL7975248

SCHEMBL7975248

CCC(N)Sc1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 3/20 0.38
ATM Q13315 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.38
AGTR1 P30556 1/20 0.38
DNMT1 P26358 1/20 0.36
MAOA P21397 3/20 0.35
MAOB P27338 2/20 0.35
CA7 P43166 1/20 0.35
ACHE P22303 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 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
SCHEMBL11296841 0.80 MAOA (0.47) SLC6A4MAPTALDH1A1HPGDLMNA
Hydrochloric Acid SCHEMBL10395906 0.79 MAOA (0.48) SLC6A4KMT2AMAOAMAOBHTT
SCHEMBL9325878 0.78 ALDH1A1 (0.35) SLC6A4ALDH1A1NPSR1HTT
SCHEMBL27944941 0.77 MAPT (0.41) SLC6A4MAPTALDH1A1HPGDKMT2A
SCHEMBL16372072 0.76 ALDH1A1 (0.45) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL9325103 0.72 ALDH1A1 (0.38) SLC6A4MAPTALDH1A1HPGDKMT2A
SCHEMBL11448460 0.71 PTGES (0.39) SLC6A4MAPTALDH1A1HPGDKMT2A
SCHEMBL28429787 0.69 HPGD (0.40) SLC6A4MAPTALDH1A1HPGDKMT2A
SCHEMBL11291783 0.69 MAPT (0.39) MAPTALDH1A1HPGDKMT2ALMNA
SCHEMBL1454134 0.69 TDP1 (0.44) MAPTALDH1A1HPGDKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001064644-A1 DICHLOROPYRIDYL- AND DICHLOROISOTHIAZOLYL-THIOCARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-07 WO disclosed