SCHEMBL7487016

SCHEMBL7487016

NN=Cc1ccc(CNC(C(=O)NCC(=O)NCc2ccncc2)c2ccc[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
CTSD P07339 1/20 0.33

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
Hydrochloric Acid SCHEMBL7486938 0.84 LMNA (0.35) POLBALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL7487029 0.83 F7 (0.41) ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL6365198 0.82 F7 (0.41) ALDH1A1GAAMAPT
Hydrochloric Acid SCHEMBL7430227 0.81 NAMPT (0.40) POLBALDH1A1GAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7432391 0.80 HTT (0.45) POLBALDH1A1GAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7482356 0.76 MTNR1A (0.40) ALDH1A1KDM4ETSHRCYP3A4LMNA
Hydrochloric Acid SCHEMBL7431195 0.76 SMN1; SMN2 (0.43) POLBALDH1A1GAAMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6373666 0.74 RECQL (0.42) ALDH1A1GAAMAPTSMN1; SMN2HTT
Hydrochloric Acid SCHEMBL7425653 0.74 LMNA (0.42) ALDH1A1GAASMN1; SMN2HTTTSHR
Hydrochloric Acid SCHEMBL7430474 0.73 L3MBTL1 (0.44) ALDH1A1GAAMAPTSMN1; SMN2HTT

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-1206444-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY Morphochem AG (DE) 2002-05-22 EP disclosed
WO-2001014320-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2001-03-01 WO disclosed