SCHEMBL9828836

SCHEMBL9828836

CCCOCCOc1ccc(CBr)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLCO1B3 Q9NPD5 1/20 0.50
SLCO1B1 Q9Y6L6 1/20 0.50
APP P05067 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.43
RARB P10826 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.42
LTA4H P09960 1/20 0.42
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9828891 0.91 LMNA (0.45) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL9539720 0.90 APP (0.47) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL1573293 0.90 APP (0.47) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL4122924 0.88 L3MBTL1 (0.53) LMNAMEN1ALDH1A1MAPK1KMT2A
SCHEMBL9541070 0.87 THRA (0.45) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL3097354 0.85 KDM4E (0.50) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL23267301 0.85 LMNA (0.53) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL2697362 0.85 LMNA (0.53) LMNAMEN1USP2ALDH1A1CYP3A4
SCHEMBL4487824 0.84 LTA4H (0.53) CYP3A4SMN1; SMN2KDM4ETSHRLTA4H
SCHEMBL9705589 0.84 TRPA1 (0.43) ALDH1A1TSHRLTA4HHTT

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-0199281-B1 PYRIDAZINONE DERIVATIVES, PREPARATION THEREOF, AND INSECTICIDAL, ACARICIDAL, NEMATICIDAL, FUNGICIDAL COMPOSITIONS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1991-07-10 EP disclosed
US-4837217-A Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-06 US disclosed
EP-0199281-A2 Pyridazinone derivatives, preparation thereof, and insecticidal, acaricidal, nematicidal, fungicidal compositions NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-10-29 EP disclosed