SCHEMBL16488372

SCHEMBL16488372

CCCCCCN1c2ccccc2Oc2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PIM1 P11309 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIGMAR1 Q99720 1/20 0.43
AHR P35869 1/20 0.42
CES1 P23141 2/20 0.42
CDC25A P30304 1/20 0.42
HDAC3 O15379 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
HDAC4 P56524 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
HDAC1 Q13547 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41

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
SCHEMBL3023529 0.93 CNR1 (0.42) MEN1KMT2APIM1TDP1AHR
SCHEMBL28664202 0.88 PIM1 (0.45) MEN1KMT2APIM1TDP1SIGMAR1
SCHEMBL31314370 0.87 ALDH1A1 (0.44) MEN1KMT2APIM1TDP1AHR
SCHEMBL2783880 0.87 MEN1 (0.53) MEN1KMT2APIM1TDP1SIGMAR1
SCHEMBL2254853 0.87 MEN1 (0.53) MEN1KMT2APIM1TDP1SIGMAR1
SCHEMBL5953850 0.85 MEN1 (0.55) MEN1KMT2APIM1TDP1SIGMAR1
SCHEMBL15607139 0.83 AHR (0.50) MEN1KMT2APIM1TDP1SIGMAR1
SCHEMBL31314256 0.82 MEN1 (0.45) MEN1KMT2APIM1TDP1SIGMAR1
SCHEMBL8666818 0.81 SIGMAR1 (0.55) MEN1KMT2APIM1TDP1SIGMAR1
SCHEMBL29759104 0.81 SIGMAR1 (0.55) MEN1KMT2APIM1TDP1SIGMAR1

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
EP-2838128-B1 Dye-sensitized solar cells and methods of making same HONEYWELL ROMANIA S R L (RO) 2016-01-06 EP disclosed
EP-2838128-A1 Dye-sensitized solar cells and methods of making same Honeywell Romania S.R.L. (RO) 2015-02-18 EP disclosed