SCHEMBL15048831

SCHEMBL15048831

O=C(O)c1cc(-c2ncccc2[N+](=O)[O-])ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
TRPV1 Q8NER1 1/20 0.46
HTT P42858 4/20 0.46
EIF4E P06730 5/20 0.45
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSP90AA1 P07900 1/20 0.43
OPRK1 P41145 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
VCAM1 P19320 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL15048832 1.00 SMN1; SMN2 (0.46) SMN1; SMN2TRPV1HTTEIF4EALDH1A1
SCHEMBL1785731 0.85 MEN1 (0.53) SMN1; SMN2TRPV1HTTALDH1A1KDM4E
SCHEMBL28106801 0.80 ALDH1A1 (0.47) SMN1; SMN2TRPV1HTTALDH1A1KDM4E
SCHEMBL14089956 0.79 TRPV1 (0.58) SMN1; SMN2TRPV1ALDH1A1TSHRKDM4E
SCHEMBL16097359 0.79 ERN1 (0.51) TRPV1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL15048943 0.79 KDM4E (0.47) SMN1; SMN2TRPV1ALDH1A1KDM4ETDP1
SCHEMBL1736168 0.76 MEN1 (0.57) SMN1; SMN2TRPV1HTTALDH1A1KDM4E
SCHEMBL4880921 0.76 P2RX7 (0.60)
SCHEMBL15049097 0.75 KDM4E (0.44) SMN1; SMN2EIF4EALDH1A1KDM4ETDP1
SCHEMBL444703 0.74 ALDH1A1 (0.53) TRPV1ALDH1A1TDP1MAPTMEN1

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-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed