SCHEMBL5504208

SCHEMBL5504208

CCOC(=Cc1ccccc1)C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
POLB P06746 1/20 0.47
NR1I2 O75469 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MAPK1 P28482 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL5504206 1.00 MEN1 (0.62) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL2229690 0.86 MEN1 (0.66) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL27655716 0.84 MEN1 (0.74) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL8330995 0.83 MEN1 (0.62) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL9789402 0.83 MEN1 (0.62) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL20596721 0.83 MCL1 (0.45) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL9716955 0.82 ALDH1A1 (0.51) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL6388241 0.81 MEN1 (0.65) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL8408159 0.81 MEN1 (0.65) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL7672337 0.80 ABCG2 (0.51) MEN1KMT2AALDH1A1MCL1AKR1C3

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
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP claimed
WO-2006058012-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-06-01 WO claimed