SCHEMBL9825679

SCHEMBL9825679

COC(=O)COc1ccc(C(C)CN2CCOC(c3csc(N4CCCCC4)n3)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
GLA P06280 1/20 0.35
POLB P06746 3/20 0.35
DNM1L O00429 3/20 0.33
ADAM17 P78536 1/20 0.33
LMNA P02545 2/20 0.33
CPT1A P50416 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
ESR2 Q92731 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OGA O60502 1/20 0.32
CPT2 P23786 1/20 0.32
CPT1B Q92523 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
SCHEMBL9825332 0.88 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL9825661 0.88 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL9826314 0.88 MEN1 (0.39) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL9825754 0.85 ACACB (0.40) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL9825542 0.85 SMN1; SMN2 (0.37) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL8880068 0.83 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL9825810 0.80 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL9826859 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL9827155 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL9825897 0.79 KMT2A (0.35) ALDH1A1SMN1; SMN2MEN1KMT2APOLB

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-0239815-B1 SUBSTITUTED THIAZOLES AND OXAZOLES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1991-07-24 EP disclosed