SCHEMBL9602706

SCHEMBL9602706

CC(COc1ccc(-n2nc3c(cc2=O)CCc2ccc(Cl)cc2-3)cc1)CN(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CDK4 P11802 4/20 0.34
AOC3 Q16853 2/20 0.34
CDK2 P24941 3/20 0.33
DAPK3 O43293 1/20 0.33
JAK2 O60674 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33

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
SCHEMBL10445204 0.93 HRH3 (0.42) HRH3ALDH1A1LMNAMAPTKDM4E
SCHEMBL9866414 0.90 HRH3 (0.38) HRH3ALDH1A1MAPTKDM4ECDK4
SCHEMBL9602742 0.88 HRH3 (0.45) HRH3ALDH1A1LMNAHPGDALOX12
SCHEMBL9602846 0.87 MCHR1 (0.41) HRH3ALDH1A1LMNAHPGDALOX12
SCHEMBL9866371 0.87 HRH3 (0.41) HRH3ALDH1A1MAPTKDM4EKMT2A
SCHEMBL9866408 0.84 MCHR1 (0.38) HRH3
SCHEMBL9867236 0.79 MCHR1 (0.44) HRH3ALDH1A1LMNAHPGDALOX12
SCHEMBL10368024 0.79 ALDH1A1 (0.50) ALDH1A1LMNAHPGDALOX12MAPT
SCHEMBL9602093 0.78 HRH3 (0.39) HRH3ALDH1A1KMT2A
SCHEMBL9865164 0.78 MAOB (0.37) HRH3ALDH1A1LMNAHPGDALOX12

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