SCHEMBL7748629

SCHEMBL7748629

CN(C(=O)c1ccc(N)cc1)c1ccccc1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
SLC6A3 Q01959 1/20 0.44
MEN1 O00255 2/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
JAK2 O60674 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
TSPO P30536 1/20 0.40
PHLPP2 Q6ZVD8 1/20 0.40
PRSS1 P07477 1/20 0.40
ACR P10323 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL18668281 0.92 KMT2A (0.53) MAPTKMT2ASMN1; SMN2SLC6A3MEN1
SCHEMBL7369117 0.82 CES2 (0.48) MAPTKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7743974 0.79 ALDH1A1 (0.46) MAPTKMT2ASMN1; SMN2MEN1GAA
SCHEMBL29617334 0.77 KMT2A (0.55) MAPTKMT2ASMN1; SMN2SLC6A3MEN1
SCHEMBL9705584 0.76 HTT (0.41) MAPTKMT2ASMN1; SMN2MEN1GAA
SCHEMBL7372957 0.75 ALDH1A1 (0.47) NPSR1ALDH1A1
SCHEMBL7409011 0.74 KMT2A (0.45) MAPTKMT2ASMN1; SMN2MEN1USP2
SCHEMBL18249413 0.74 KMT2A (0.46) MAPTKMT2ASMN1; SMN2SLC6A3MEN1
SCHEMBL7373632 0.74 GPBAR1 (0.46) POLBMAOA
SCHEMBL18668268 0.74 MAPT (0.52) MAPTKMT2ASMN1; SMN2SLC6A3MEN1

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
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed