SCHEMBL9828853

SCHEMBL9828853

CC(C)(C)n1ncc(O)c(Br)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
SMN1; SMN2 Q16637 10/20 0.37
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
ALDH1A1 P00352 5/20 0.37
MITF O75030 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 4/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
GPR183 P32249 1/20 0.34
GPR35 Q9HC97 1/20 0.34
TSHR P16473 4/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
CYP2D6 P10635 2/20 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
SCHEMBL9233774 0.81 SMN1; SMN2 (0.50) PLA2G1BATG4BSMN1; SMN2NPC1RAB9A
SCHEMBL9237010 0.79 SMN1; SMN2 (0.38) PLA2G1BATG4BSMN1; SMN2NPC1RAB9A
SCHEMBL9775182 0.78 PLA2G1B (0.38) PLA2G1BATG4BSMN1; SMN2NPC1RAB9A
SCHEMBL1627207 0.78 SMN1; SMN2 (0.46) PLA2G1BATG4BSMN1; SMN2NPC1RAB9A
SCHEMBL11274814 0.78 PLA2G1B (0.38) PLA2G1BATG4BSMN1; SMN2NPC1RAB9A
SCHEMBL8281635 0.75 MTOR (0.43) SMN1; SMN2NPC1RAB9AALDH1A1MITF
SCHEMBL8551357 0.70 SMN1; SMN2 (0.37) PLA2G1BATG4BSMN1; SMN2NPC1RAB9A
SCHEMBL17191914 0.70 SMN1; SMN2 (0.35) PLA2G1BATG4BSMN1; SMN2NPC1RAB9A
SCHEMBL23399663 0.70 CYP17A1 (0.32) CYP1A2
SCHEMBL10368396 0.70 CNR1 (0.39) PLA2G1BATG4BSMN1; SMN2NPC1RAB9A

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