SCHEMBL19002164

SCHEMBL19002164

COc1cc(N)ccc1-c1ccc(N)cc1C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.45
IMPDH1 P20839 1/20 0.45
ALDH1A1 P00352 7/20 0.45
TSHR P16473 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ERN1 O75460 5/20 0.42
PRKDC P78527 1/20 0.41
LCK P06239 1/20 0.40
NR4A1 P22736 1/20 0.40
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
TLR6 Q9Y2C9 1/20 0.39
USP2 O75604 1/20 0.39
TRIM24 O15164 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30839714 0.83 MAPT (0.59) IMPDH2IMPDH1ALDH1A1TSHRGAA
SCHEMBL347390 0.83 MAPT (0.59) IMPDH2IMPDH1ALDH1A1TSHRGAA
SCHEMBL8693955 0.83 ALDH1A1 (0.41) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL7242040 0.82 ALDH1A1 (0.63) ALDH1A1TSHRGAAMAPTMAPK1
SCHEMBL5883440 0.82 ALDH1A1 (0.55) ALDH1A1TSHRGAAMAPTMAPK1
Hydrochloric Acid SCHEMBL10604756 0.81 MAPT (0.57) IMPDH2IMPDH1ALDH1A1TSHRGAA
SCHEMBL17229426 0.77 ALDH1A1 (0.53) ALDH1A1TSHRMAPTKDM4ETDP1
SCHEMBL17426244 0.76 ERN1 (0.56) ALDH1A1TSHRMAPTKDM4ETDP1
SCHEMBL6011530 0.76 MAPT (0.52) IMPDH2IMPDH1ALDH1A1TSHRGAA
SCHEMBL30839803 0.76 MAPT (0.52) IMPDH2IMPDH1ALDH1A1TSHRGAA

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
US-20170175078-A1 CELL CULTURE SUBSTRATE COMPRISING FLUORINE-CONTAINING POLYMER ON ITS SURFACE NIPPON SHOKUBAI, CO., LTD. (JP) 2017-06-22 US disclosed