SCHEMBL5749869

SCHEMBL5749869

Nc1ccc2ccc3ccc(C=O)c4ccc1c2c34

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
GUSB P08236 2/20 0.35
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
PABPC1 P11940 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TYMS P04818 2/20 0.33
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
THRB P10828 2/20 0.31
BLM P54132 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MAPT P10636 2/20 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
SCHEMBL5747909 1.00 CCR1 (0.35) CCR1CCR5CCR8GUSBMEN1
SCHEMBL4441470 0.87 CCR1 (0.43) CCR1CCR5CCR8GUSBMEN1
SCHEMBL4444202 0.87 CCR1 (0.43) CCR1CCR5CCR8GUSBMEN1
SCHEMBL5747800 0.83 CYP1A2 (0.43) GUSBMEN1KMT2ALMNAKDM4E
SCHEMBL5749600 0.81 TYMS (0.37) CCR1CCR5CCR8GUSBMEN1
Hydrazine SCHEMBL16593264 0.80 GUSB (0.49) CCR1CCR5CCR8GUSBMEN1
SCHEMBL867279 0.80 KEAP1 (0.42) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL866016 0.80 KEAP1 (0.42) MEN1KMT2ALMNAKDM4ESMN1; SMN2
SCHEMBL29372072 0.80 KEAP1 (0.42) MEN1KMT2ALMNAKDM4ESMN1; SMN2
Pyrene SCHEMBL20472222 0.79 ALDH1A1 (0.48) CCR1CCR5CCR8GUSBMEN1

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-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed