SCHEMBL19648780

SCHEMBL19648780

Cc1cc(/N=N/c2ccc(NCCO)cc2)ccc1/N=N/c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.44
MEN1 O00255 7/20 0.42
KMT2A Q03164 7/20 0.42
MAPT P10636 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
POLB P06746 3/20 0.42
LMNA P02545 2/20 0.42
MMP14 P50281 1/20 0.42
KCNH3 Q9ULD8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.33
PLEC Q15149 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
SCHEMBL19648595 0.86 BRD4 (0.47) BRD4MEN1KMT2AMAPTNPC1
SCHEMBL21242465 0.84 MAPT (0.41) BRD4MEN1KMT2AMAPTNPC1
SCHEMBL19648756 0.84 KCNH3 (0.46) BRD4MEN1KMT2AMAPTNPC1
SCHEMBL19648759 0.77 BRD4 (0.46) BRD4MEN1KMT2AMAPTNPC1
SCHEMBL21242247 0.77 EGFR (0.47) BRD4MEN1KMT2AMAPTNPC1
SCHEMBL4020935 0.76 MAPT (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4020936 0.76 MAPT (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL18409050 0.76 MAPT (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL21242325 0.74 MAPT (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL21242324 0.74 MAPT (0.44) BRD4MEN1KMT2AMAPTNPC1

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
EP-2580289-B1 BLACK DICHROIC DYE BASF SE (DE) 2017-11-29 EP disclosed