SCHEMBL16675417

SCHEMBL16675417

Nc1ncccc1C(=O)OCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 6/20 0.53
TSHR P16473 2/20 0.53
CASP3 P42574 1/20 0.53
RAB9A P51151 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
EGLN1 Q9GZT9 1/20 0.48
MMP2 P08253 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
TDP1 Q9NUW8 4/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL30142131 0.89 POLB (0.69) POLBALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL7868326 0.89 POLB (0.69) POLBALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL8184241 0.86 RAB9A (0.59) POLBALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL20508251 0.85 POLB (0.54) POLBALDH1A1L3MBTL1TSHRCASP3
SCHEMBL13035501 0.83 L3MBTL1 (0.56) POLBALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL16694456 0.82 ALDH1A1 (0.62) POLBALDH1A1KDM4EL3MBTL1TSHR
Azobenzene SCHEMBL28886104 0.82 POLB (0.60) POLBALDH1A1KDM4EL3MBTL1TSHR
SCHEMBL20440373 0.80 MMP2 (0.46) ALDH1A1KDM4EL3MBTL1TSHRCASP3
SCHEMBL29351666 0.80 MMP2 (0.46) ALDH1A1KDM4EL3MBTL1TSHRCASP3
SCHEMBL920461 0.79 MAPK8 (0.67) ALDH1A1L3MBTL1MEN1KMT2AMAPT

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
WO-2015060378-A1 AMINOPYRIDINE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE 日本曹達株式会社 2015-04-30 WO disclosed