SCHEMBL8993803

SCHEMBL8993803

CC(C)(C)OC(=O)N(c1cccn(CC(=O)C2CCCCN2)c1=O)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A3 Q01959 1/20 0.35
BCL2L1 Q07817 1/20 0.33
MCL1 Q07820 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
HTR2C P28335 4/20 0.33
HTR2A P28223 2/20 0.33
HTR7 P34969 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTR6 P50406 1/20 0.31

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
SCHEMBL8993750 0.76 ALDH1A1 (0.43) BCL2L1MCL1MEN1KMT2AALDH1A1
SCHEMBL8752627 0.67 KMT2A (0.56) ACACBBCL2L1MCL1MEN1KMT2A
Hydrochloric Acid SCHEMBL8993816 0.66 ELANE (0.38) ALDH1A1
SCHEMBL8993701 0.65 F10 (0.45)
SCHEMBL8993761 0.65 RAD52 (0.47) MEN1KMT2AALDH1A1
SCHEMBL19976581 0.60 PKM (0.56) MEN1KMT2AALDH1A1
SCHEMBL10194546 0.59 SLC6A2 (0.52) SLC6A2SLC6A4MEN1KMT2A
SCHEMBL8696361 0.59 CTSS (0.50) ACACBKMT2AALDH1A1
SCHEMBL6535567 0.58 SCN4A (0.45) HTR2C
SCHEMBL13590700 0.57 ACACB (0.69) ACACBPOLBHTR2CHTR2AHTR7

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
US-5489583-A FOR TREATING OR PREVENTING THROMBOSIS BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed