SCHEMBL30848588

SCHEMBL30848588

OC1=Cc2ncccc2C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MMP2 P08253 1/20 0.32
CHRM1 P11229 1/20 0.32
TSHR P16473 1/20 0.32
COMT P21964 1/20 0.32
ADRA1A P35348 1/20 0.32
METAP2 P50579 1/20 0.32
METAP1 P53582 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
XBP1 P17861 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL12094093 0.77 HSP90AA1 (0.35) KDM4EMAPTALDH1A1L3MBTL1MMP2
SCHEMBL1650021 0.73 KDM4E (0.40) KDM4EMAPTALDH1A1L3MBTL1TSHR
SCHEMBL13859949 0.73 TSHR (0.35) KDM4EMAPTALDH1A1MMP2CHRM1
SCHEMBL5954553 0.71 ABCC4 (0.31) CHRM1
SCHEMBL31031136 0.71 MAPT (0.32) KDM4EMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL7095208 0.71 CYP11B1 (0.47) KDM4EMAPTALDH1A1TSHRNPC1
SCHEMBL9729180 0.69 CES1 (0.33) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL7094263 0.68 CYP11B1 (0.45) ALDH1A1TSHRMEN1KMT2ANPC1
SCHEMBL2806313 0.67 CYP11B1 (0.31)
SCHEMBL7096288 0.67 CYP11B1 (0.37) KDM4EALDH1A1L3MBTL1CHRM1ADRA1A

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
CN-117720567-A [ ONN ] tridentate metal complex, preparation method and application thereof 辽宁石油化工大学 2024-03-19 CN disclosed