SCHEMBL8302328

SCHEMBL8302328

CCO/N=C1/c2cc(Cl)ccc2N/C(=N/O)C1(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
TGM2 P21980 2/20 0.33
CES1 P23141 1/20 0.33
IDO1 P14902 3/20 0.33
TDO2 P48775 2/20 0.33
MDM2 Q00987 3/20 0.32
CHRM1 P11229 3/20 0.32
LRRK2 Q5S007 2/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL8302332 1.00 HPGD (0.34) HPGDTSHRTGM2CES1IDO1
SCHEMBL8303880 0.82 CHRM1 (0.42) TGM2CES1IDO1TDO2CHRM1
SCHEMBL8880752 0.82 MAOB (0.41) TGM2CES1IDO1TDO2MDM2
SCHEMBL8880601 0.82 CHRM1 (0.42) TGM2CES1IDO1TDO2CHRM1
SCHEMBL8880758 0.82 MAOB (0.41) TGM2CES1IDO1TDO2MDM2
SCHEMBL27461474 0.73 CHRM1 (0.32) CHRM1
SCHEMBL27461472 0.73 CHRM1 (0.32) CHRM1
SCHEMBL8880980 0.72 MDM2 (0.40) TGM2CES1IDO1TDO2MDM2
SCHEMBL27392795 0.71 TGM2 (0.32) TGM2CES1IDO1TDO2MDM2
SCHEMBL27373896 0.71 TGM2 (0.32) TGM2CES1IDO1TDO2MDM2

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
EP-0579968-B1 4-Iminoquinolines, processes for their preparation and their use HOECHST AG (DE) 1999-09-01 EP disclosed
EP-0579968-A1 4-Iminoquinolines, processes for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-26 EP disclosed