SCHEMBL5304367

SCHEMBL5304367

COCCOCCNc1cc(-c2ccc(-c3ccc(C)c(C)c3)cc2)nn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
POLB P06746 5/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 6/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MALT1 Q9UDY8 1/20 0.35
ESRRA P11474 1/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
CASP7 P55210 2/20 0.33
GLA P06280 1/20 0.33

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
Hydrochloric Acid SCHEMBL5306307 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBRAB9ANPC1
SCHEMBL5326930 0.81 MAPT (0.43) ALDH1A1POLBRAB9AMAPTMEN1
SCHEMBL5303090 0.75 MAPT (0.51) ALDH1A1KDM4ERAB9ANPC1MAPT
SCHEMBL5306582 0.75 MAPT (0.41) POLBRAB9AMAPTLMNANPSR1
SCHEMBL5303639 0.74 LMNA (0.44) ALDH1A1KDM4EPOLBRAB9ANPC1
SCHEMBL5307503 0.74 MEN1 (0.38) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL5306559 0.73 KDM4E (0.47) ALDH1A1KDM4EPOLBRAB9ANPC1
SCHEMBL5307225 0.73 MAPT (0.48) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL5306913 0.73 CDK2 (0.40) ALDH1A1KDM4EPOLBRAB9ANPC1
SCHEMBL5311858 0.73 LMNA (0.43) KDM4EPOLBMAPTHPGDGAA

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
WO-2007034279-A2 C3A ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-03-29 WO claimed
WO-2007034279-A2 C3A ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER PRODUCTS INC. (US) 2007-03-29 WO disclosed