SCHEMBL9602515

SCHEMBL9602515

CC(COc1ccc(N2N=C3c4cc(F)ccc4CCC3CC2=O)cc1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
DRD2 P14416 2/20 0.33
HTR2A P28223 4/20 0.32
PLA2G7 Q13093 1/20 0.32
ACHE P22303 1/20 0.31
TOP1 P11387 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 SCHEMBL9603160 0.94 KDM4E (0.35) ALDH1A1KDM4ELMNAGAAMAPT
Fumaric Acid SCHEMBL9603164 0.94 KDM4E (0.35) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9602191 0.92 DRD2 (0.32) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9867304 0.90 MAOA (0.35) GAAACHETOP1
Hydrochloric Acid SCHEMBL9602310 0.89 S1PR1 (0.33) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9602809 0.88 DRD2 (0.34) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9602555 0.88 ALDH1A1 (0.34) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9602330 0.86 ESR1 (0.37) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9603224 0.86 DRD2 (0.36) MAPTDRD2HTR2A
SCHEMBL9605374 0.85 XIAP (0.33) ALDH1A1KDM4EDRD2HTR2AACHE

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 3 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
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed