SCHEMBL11348223

SCHEMBL11348223

c1ccc2c(CNC3=NCCS3)cccc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.52
▸ GAA P10253 1/20 0.48
▸ ACHE P22303 2/20 0.45
▸ SOS1 Q07889 1/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ CYP2D6 P10635 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ ADRA1A P35348 1/20 0.41

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
SCHEMBL11349824 0.80 SMN1; SMN2 (0.48) MAPK1HSD17B10ALDH1A1MAPTLMNA
SCHEMBL1178125 0.79 POLB (0.46) MAPK1HSD17B10ALDH1A1GAAKMT2A
SCHEMBL1178882 0.79 GAA (0.56) ALDH1A1GAAMAPTLMNAPOLB
SCHEMBL1178846 0.77 ATM (0.49) MAPK1HSD17B10ALDH1A1GAAMAPT
SCHEMBL4209923 0.77 LMNA (0.46) MAPK1HSD17B10GAAMAPTMEN1
Hydrochloric Acid SCHEMBL4203364 0.75 ATM (0.48) ALDH1A1GAAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL4206022 0.75 LMNA (0.47) MAPK1HSD17B10GAAMAPTMEN1
SCHEMBL1178410 0.74 ATM (0.41) MAPK1HSD17B10ALDH1A1GAAMAPT
SCHEMBL1178797 0.74 RAB9A (0.43) GAAMAPTLMNAPOLBCYP2D6
SCHEMBL1178929 0.74 ATM (0.50) MAPK1HSD17B10ALDH1A1GAAMAPT

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
EP-0001947-B1 2-AMINO-THIAZOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL PREPARATIONS INSTITUT MERIEUX (FR) 1981-10-14 — — EP claimed
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