SCHEMBL6784074

SCHEMBL6784074

CC(=O)Nc1ccc(C(=O)O)c2c1CCN(C)C2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
ALDH1A1 P00352 3/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
APEX1 P27695 1/20 0.37
ADORA1 P30542 2/20 0.36
MAPT P10636 2/20 0.36
RAD52 P43351 1/20 0.36
MYC P01106 2/20 0.35
UHRF1 Q96T88 1/20 0.35
POLB P06746 2/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34

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
SCHEMBL6785452 0.82 RXFP1 (0.44) KDM4EHSD17B10GRIA1GRIA2GRIA3
SCHEMBL8152134 0.82 RXFP1 (0.44) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL6610930 0.80 NPC1 (0.40) KDM4EALDH1A1APEX1ADORA1UHRF1
SCHEMBL8807579 0.79 UHRF1 (0.35) KDM4EHSD17B10GRIA1GRIA2GRIA3
SCHEMBL8807587 0.78 UHRF1 (0.35) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL10967773 0.75 ADRA2A (0.46) ALDH1A1POLBNPC1RAB9A
SCHEMBL8810234 0.74 POLB (0.34) KDM4EHSD17B10GRIA1GRIA2GRIA3
SCHEMBL6784777 0.74 NPC1 (0.51) ALDH1A1NPC1RAB9A
SCHEMBL9289909 0.73 APEX1 (0.38) KDM4EALDH1A1PTPN2PTPN1APEX1
SCHEMBL6609264 0.72 RXFP1 (0.49) KDM4EHSD17B10ALDH1A1MAPTPOLB

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-6703391-B2 THROMBOSIS, BRAIN DISORDERS, CARDIOVASCULAR DISORDERS, ALZHEIMER'S DISEASE, HUNTINGTON DISEASES NEUROSEARCH A/S (DK) 2004-03-09 US disclosed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 EP disclosed