SCHEMBL7964558

SCHEMBL7964558

c1ccc(-c2cccc(-c3cccnc3-c3ccccn3)n2)nc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.67
CCR1 P32246 3/20 0.67
CCR5 P51681 3/20 0.67
CCR8 P51685 3/20 0.67
LMNA P02545 3/20 0.67
TP53 P04637 2/20 0.67
ALOX15 P16050 2/20 0.67
HTT P42858 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
ALPL P05186 1/20 0.67
HSP90AA1 P07900 1/20 0.67
ALPI P09923 1/20 0.67
ALPG P10696 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52
BLM P54132 1/20 0.52

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
Dipyridyl SCHEMBL7904492 0.88 KDM4E (0.61) KDM4ECCR1CCR5CCR8LMNA
Dipyridyl SCHEMBL29033191 0.86 KDM4E (0.58) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL30031 0.86 KDM4E (0.56) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL31055836 0.86 KDM4E (0.62) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL1368863 0.84 KDM4E (0.60) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL9958400 0.84 TGFBR1 (0.47) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL319436 0.84 KDM4E (0.54) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL16241819 0.84 KDM4E (0.54) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL3924522 0.84 KDM4E (0.54) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL1652383 0.84 KDM4E (0.54) KDM4ECCR1CCR5CCR8LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 US disclosed
US-6087510-A Method of use of imidazolium cations THE ROCKEFELLER UNIVERSITY (US) 2000-07-11 US disclosed
US-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 US disclosed