SCHEMBL27465871

SCHEMBL27465871

CCCCCCN(C(=O)c1ccc(Cl)cc1)c1ccc(F)c([Ti])c1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.47
CNR2 P34972 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
KCNH2 Q12809 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
BDKRB2 P30411 1/20 0.35

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
SCHEMBL5695492 0.96 S1PR1 (0.46) S1PR1CNR2ALDH1A1NPC1KCNH2
SCHEMBL27482477 0.89 NPC1 (0.43) S1PR1ALDH1A1TP53NPC1JAK2
SCHEMBL27482134 0.85 ADRA2C (0.44) S1PR1ALDH1A1TP53NPC1JAK2
SCHEMBL27565956 0.83 TP53 (0.44) S1PR1ALDH1A1TP53NPC1JAK2
SCHEMBL27496670 0.81 ALDH1A1 (0.42) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL27483225 0.79 RIPK1 (0.41) ALDH1A1TP53NPC1JAK2RAB9A
SCHEMBL29479974 0.79 S1PR1 (0.42) S1PR1CNR2ALDH1A1TP53NPC1
SCHEMBL27465870 0.78 S1PR1 (0.46) S1PR1CNR2ALDH1A1TP53NPC1
SCHEMBL27517544 0.78 CNR2 (0.44) CNR2TP53NPC1RAB9APOLB
SCHEMBL4304714 0.77 LPAR1 (0.37) ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1215379-C Original edition for lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2005-08-17 CN disclosed
CN-1171122-C Optical polymerism composition 富士胶片株式会社 2004-10-13 CN disclosed
CN-1425068-A Fungal transcriptional activator useful in methods of producing polypeptides NOVOZYMES AS (DK) 2003-06-18 CN disclosed
CN-1374559-A Original edition for lithographic printing plate FUJI PHOTO FILM CO LTD (JP) 2002-10-16 CN disclosed
CN-1319784-A Optical polymerism composition FUJI PHOTO FILM CO LTD (JP) 2001-10-31 CN disclosed