SCHEMBL8975389

SCHEMBL8975389

CNC(N)=NC(=O)c1cc2c(Cl)ccc(OCCN)c2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.37
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
PLAU P00749 2/20 0.34
SUCNR1 Q9BXA5 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
PKM P14618 1/20 0.33
BCL9 O00512 2/20 0.33
CTNNB1 P35222 2/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTR2A P28223 2/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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 SCHEMBL8631624 0.99 TOP2A (0.39) TOP2AIDO1TDO2PLAUSUCNR1
Hydrochloric Acid SCHEMBL7880944 0.99 TOP2A (0.39) TOP2AIDO1TDO2PLAUSUCNR1
Hydrochloric Acid SCHEMBL7881208 0.94 TOP2A (0.34) TOP2AIDO1TDO2KDM4EHPGD
Hydrochloric Acid SCHEMBL8632300 0.94 TOP2A (0.34) TOP2AIDO1TDO2KDM4EHPGD
Hydrochloric Acid SCHEMBL7879738 0.91 SCD (0.35) TOP2AIDO1TDO2KDM4EHPGD
Hydrochloric Acid SCHEMBL7873332 0.90 PRKAB2 (0.34) IDO1TDO2KDM4EHPGDPKM
SCHEMBL9413530 0.89 KDM4E (0.41) KDM4ETDP1HTR2AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL7873675 0.89 SMN1; SMN2 (0.34) IDO1TDO2KDM4EHPGDPKM
SCHEMBL8631812 0.88 TDP1 (0.45) IDO1TDO2PLAUKDM4EHPGD
SCHEMBL7884732 0.88 KMT2A (0.38) KDM4EHPGDPKMTSHRTDP1

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-8208602-A None JP disclosed
JP-H08208602-A INDOLOYLGUANIDINE DERIVATIVE SUMITOMO PHARMACEUT CO LTD 1996-08-13 JP disclosed