SCHEMBL6433541

SCHEMBL6433541

CCCCNC(C)c1nc(C)nc(Cl)c1CC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TLR8 Q9NR97 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PDK2 Q15119 1/20 0.31

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
SCHEMBL5844256 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5844067 0.69 PDK2 (0.37) KDM4EPDK2
SCHEMBL5844251 0.69 L3MBTL1 (0.37) ALDH1A1POLBTLR8KDM4ENPSR1
SCHEMBL6429265 0.69 CA2 (0.35) ALDH1A1POLBMAPTTLR8KDM4E
SCHEMBL12495762 0.67 PDK2 (0.42) ALDH1A1MAPTTLR8KDM4ENPSR1
SCHEMBL857094 0.64 CYP1A2 (0.36) ALDH1A1TLR8KDM4ENPSR1L3MBTL1
SCHEMBL259365 0.61 SMN1; SMN2 (0.42) ALDH1A1KDM4ETLR7PDK2
SCHEMBL11044330 0.60 ADRB2 (0.46) ALDH1A1POLBMAPTKDM4ENPSR1
SCHEMBL13975423 0.59 HTR1A (0.46) ALDH1A1POLBMAPTNPSR1L3MBTL1
SCHEMBL20840567 0.59 KDM4E (0.34) ALDH1A1KDM4EPDK2

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
US-6844351-B1 Corticotropin releasing factor antagonists PFIZER INC. (US) 2005-01-18 US disclosed