SCHEMBL23200084

SCHEMBL23200084

Cc1ccc(CNC(=O)NC2CCCC2)o1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
RAB9A P51151 3/20 0.58
EPHX1 P07099 6/20 0.54
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.48
POLB P06746 2/20 0.48
PABPC1 P11940 1/20 0.48
EIF4H Q15056 1/20 0.48
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL4981629 0.87 DRD4 (0.44) HPGDSMN1; SMN2RAB9AEPHX1MAPT
SCHEMBL23200029 0.77 USP2 (0.51) HPGDSMN1; SMN2RAB9AMAPTMEN1
SCHEMBL18415480 0.74 ALDH1A1 (0.51) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL5128656 0.74 USP2 (0.61) HPGDSMN1; SMN2RAB9AEPHX1MAPT
SCHEMBL6409949 0.74 EPHX2 (0.57) HPGDSMN1; SMN2RAB9AEPHX1MAPT
SCHEMBL15975482 0.74 HPGD (1.00) HPGDSMN1; SMN2RAB9AEPHX1MAPT
SCHEMBL23200000 0.73 USP2 (0.47) HPGDSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL10061717 0.73 MAPT (0.50) HPGDMAPTMEN1KMT2AALDH1A1
SCHEMBL23200063 0.73 OPRL1 (0.40) HPGDEPHX1MAPTKMT2AALDH1A1
SCHEMBL4893134 0.72 ALDH1A1 (0.48) HPGDMAPTMEN1KMT2AALDH1A1

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-3802503-A1 UREA DERIVATIVE MODULATORS OF TRYPTOPHAN CATABOLISM E-Therapeutics plc (GB) 2021-04-14 EP disclosed