SCHEMBL9850808

SCHEMBL9850808

CCCOc1ccc(C#N)cc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HSD17B10 Q99714 1/20 0.46
SLC6A9 P48067 1/20 0.45
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
MAP2K1 Q02750 1/20 0.42
ATM Q13315 2/20 0.41
KDR P35968 1/20 0.41
PIK3CA P42336 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
SCHEMBL7649628 0.87 CA9 (0.48) MAPTLMNACYP3A4SLC6A9ALDH1A1
SCHEMBL9850686 0.87 ALDH1A1 (0.49) KMT2ASLC6A9ALDH1A1HPGDPTGDR2
SCHEMBL8656394 0.87 PTGDR2 (0.47) MAPTMEN1KMT2ANR1I2LMNA
SCHEMBL9850680 0.86 SLC6A9 (0.41) MAPTMEN1KMT2ALMNAHSD17B10
SCHEMBL16950716 0.84 SLC6A9 (0.43) MAPTMEN1KMT2AHSD17B10SLC6A9
SCHEMBL13959852 0.80 MAPT (0.42) MAPTMEN1KMT2ANR1I2LMNA
SCHEMBL12180298 0.79 MAPT (0.51) MAPTMEN1KMT2ANR1I2LMNA
SCHEMBL16430427 0.79 MAPT (0.58) MAPTMEN1KMT2ANR1I2LMNA
SCHEMBL7647898 0.78 MAPT (0.50) MAPTLMNACYP3A4SLC6A9ALDH1A1
SCHEMBL13961577 0.78 MEN1 (0.43) MAPTMEN1KMT2ANR1I2LMNA

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-0442204-A2 Pyrimidopyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-08-21 EP disclosed