SCHEMBL7202144

SCHEMBL7202144

COc1cccc(-n2c(=O)[nH]c3sc(-c4ccc([N+](=O)[O-])cc4)c(C)c3c2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 1/20 0.46
LMNA P02545 4/20 0.42
HTT P42858 2/20 0.42
APP P05067 1/20 0.41
NTRK1 P04629 1/20 0.41
IGF1R P08069 1/20 0.41
FGFR1 P11362 1/20 0.41
NTRK2 Q16620 1/20 0.41
CYP1A2 P05177 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 2/20 0.38

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
SCHEMBL7749085 0.90 NTRK1 (0.48) GNRHRLMNAHTTNTRK1IGF1R
SCHEMBL4248933 0.87 ALDH1A1 (0.46) GNRHRLMNAHTTALDH1A1MEN1
SCHEMBL7747096 0.81 ALDH1A1 (0.46) GNRHRLMNANTRK1IGF1RFGFR1
SCHEMBL29382466 0.79 APP (0.34) GNRHRLMNAAPPMEN1KMT2A
SCHEMBL29696460 0.75 SLC11A2 (0.37) GNRHRHTTALDH1A1MEN1KMT2A
SCHEMBL29696469 0.74 SLC11A2 (0.37) GNRHRLMNAALDH1A1MEN1KMT2A
SCHEMBL29696456 0.73 SLC11A2 (0.38) GNRHRHTTALDH1A1MEN1KMT2A
SCHEMBL29696435 0.72 SLC11A2 (0.37) GNRHRHTTALDH1A1MEN1KMT2A
SCHEMBL29696443 0.72 SLC11A2 (0.37) GNRHRHTTALDH1A1MEN1KMT2A
SCHEMBL29696450 0.72 SLC11A2 (0.35) GNRHRLMNAHTTALDH1A1MEN1

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-0808317-B1 THIENOPYRIMIDINE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-10 EP disclosed