SCHEMBL9864141

SCHEMBL9864141

Nc1cccnc1-c1cccc(O)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.41
NSD2 O96028 3/20 0.41
PAX8 Q06710 3/20 0.41
TSHR P16473 2/20 0.40
MMP2 P08253 1/20 0.40
CHRM1 P11229 1/20 0.40
COMT P21964 1/20 0.40
ADRA1A P35348 1/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
IDO1 P14902 1/20 0.40
PSMB5 P28074 1/20 0.40
ALOX15 P16050 1/20 0.39
KMT2A Q03164 2/20 0.38
ABL1 P00519 1/20 0.38
PLCG1 P19174 1/20 0.38
CES1 P23141 1/20 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
SCHEMBL29827386 0.79 TSHR (0.46) TSHRMMP2CHRM1COMTADRA1A
SCHEMBL3289013 0.76 MEN1 (0.47) TDP2NSD2PAX8HSP90AA1HSP90AB1
SCHEMBL29535498 0.73 HSP90AA1 (0.45) TDP2NSD2PAX8HSP90AA1HSP90AB1
SCHEMBL564030 0.73 CASP7 (0.50) TSHRMMP2IDO1ALOX15KMT2A
SCHEMBL1083427 0.73 HSP90AA1 (0.45) TDP2NSD2PAX8HSP90AA1HSP90AB1
SCHEMBL7718807 0.73 KDM1A (0.49) TSHRMETAP1HSP90AA1ALOX15BLM
SCHEMBL3787590 0.72 ALDH1A1 (0.59) TSHRIDO1ALOX15KMT2AMEN1
SCHEMBL19463671 0.71 CD44 (0.50) TDP2NSD2PAX8ADRA1AMETAP2
SCHEMBL20600145 0.71 SCN9A (0.50) ADRA1ABLMS100A4
SCHEMBL30824252 0.71 SCN9A (0.50) ADRA1ABLMS100A4

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
JP-3151364-A None JP disclosed
JP-H03151364-A AMINOPYRIDINYL-AMINOPHENOL AND ITS RELATED COMPOUND HOECHST ROUSSEL PHARMACEUT INC 1991-06-27 JP disclosed