SCHEMBL7752550

SCHEMBL7752550

CCC(N)CSc1cc(C)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 2/20 0.35
SLC6A4 P31645 2/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
APOBEC3A P31941 1/20 0.33
ESR2 Q92731 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL9325099 0.82 MAOA (0.47) L3MBTL1ALDH1A1TDP1HPGDLMNA
SCHEMBL14310642 0.81 L3MBTL1 (0.39) L3MBTL1ALDH1A1TDP1HPGDLMNA
SCHEMBL6725507 0.78 L3MBTL1 (0.42) L3MBTL1ALDH1A1TDP1HPGDLMNA
SCHEMBL23386690 0.75 L3MBTL1 (0.45) L3MBTL1ALDH1A1TDP1HPGDLMNA
SCHEMBL9325103 0.75 ALDH1A1 (0.38) L3MBTL1ALDH1A1TDP1SLC6A4HPGD
SCHEMBL30753704 0.73 L3MBTL1 (0.46) L3MBTL1ALDH1A1TDP1HPGDLMNA
SCHEMBL7751748 0.72 MAOA (0.46) ALDH1A1SLC6A4POLBSMN1; SMN2TAAR1
SCHEMBL21102991 0.72 L3MBTL1 (0.43) L3MBTL1ALDH1A1TDP1HPGDLMNA
SCHEMBL7751781 0.71 TAS1R3 (0.45) L3MBTL1ALDH1A1HPGDLMNAPOLB
SCHEMBL6725437 0.70 L3MBTL1 (0.37) L3MBTL1ALDH1A1TDP1HPGDLMNA

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-1064271-A1 2- (2-ARYLTHIOETHYL)AMINO]-4-AMINO-1,3,5-TRIAZINES USED AS HERBICIDES BAYER AG (DE) 2001-01-03 EP disclosed
WO-1999048877-A1 2-[(2-ARYLTHIOETHYL)AMINO]-4-AMINO-1,3,5-TRIAZINES USED AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-09-30 WO disclosed