SCHEMBL16118367

SCHEMBL16118367

COc1cccc(N=Cc2ccc(C=N)o2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
RECQL P46063 2/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
HTT P42858 1/20 0.43
HTR3E A5X5Y0 1/20 0.42

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
SCHEMBL16118331 0.93 CYP1A2 (0.55) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL16118342 0.84 MEN1 (0.50) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL16118330 0.82 ALDH1A1 (0.61) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL16118356 0.81 CA2 (0.49) MAPTMEN1KMT2AHSD17B10TDP1
SCHEMBL18431016 0.78 CA2 (0.49) MAPTMEN1KMT2ACYP1A2HSD17B10
SCHEMBL16118358 0.78 CA2 (0.49) MAPTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL16118306 0.78 CA2 (0.49) MAPTMEN1KMT2ACYP1A2HSD17B10
SCHEMBL16118332 0.78 CA2 (0.45) MAPTMEN1KMT2APOLBSENP7
SCHEMBL18430935 0.77 GRIN1 (0.43) POLBTAAR1CHRM5
SCHEMBL14832001 0.77 TDP1 (0.51) MAPTMEN1KMT2ACYP1A2CYP3A4

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
WO-2014151100-A1 METHODS FOR PREPARING ALKYLFURANS MICROMIDAS, INC. (US) 2014-09-25 WO disclosed