SCHEMBL9602555

SCHEMBL9602555

CNC(C)COc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G7 Q13093 1/20 0.33
DRD2 P14416 2/20 0.33
NR3C1 P04150 1/20 0.33
MEN1 O00255 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 2/20 0.32
MAOB P27338 1/20 0.32
MAPK14 Q16539 2/20 0.31
MAPK13 O15264 1/20 0.31
HSPB1 P04792 1/20 0.31
HTR2B P41595 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31

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
Fumaric Acid SCHEMBL9865911 0.94 KDM4E (0.35) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9602809 0.93 DRD2 (0.34) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9602515 0.88 ALDH1A1 (0.33) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9601947 0.86 ADRB1 (0.39) KDM4ELMNAMAPTMEN1KMT2A
SCHEMBL9866075 0.86 HTR1A (0.37) DRD2MAOB
Hydrochloric Acid SCHEMBL9602310 0.86 S1PR1 (0.33) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9602330 0.86 ESR1 (0.37) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9603224 0.86 DRD2 (0.36) MAPTDRD2HTR2A
SCHEMBL9602850 0.84 DRD2 (0.35) LMNADRD2HTR2AMAPK14
SCHEMBL9601493 0.83 MAPT (0.40) ALDH1A1KDM4ELMNAGAAMAPT

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-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed