SCHEMBL28686802

SCHEMBL28686802

O=c1c(Cl)c(Cl)cnn1C1COCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.46
RAB9A P51151 10/20 0.39
HTT P42858 8/20 0.39
NPC1 O15118 7/20 0.39
MITF O75030 6/20 0.39
LMNA P02545 4/20 0.39
ALDH1A1 P00352 7/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
PAX8 Q06710 5/20 0.36
MAPT P10636 5/20 0.36
S1PR4 O95977 2/20 0.36
S1PR1 P21453 2/20 0.36
THRB P10828 1/20 0.36
XBP1 P17861 1/20 0.36
POLB P06746 2/20 0.35
RECQL P46063 2/20 0.34
MDM2 Q00987 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 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
SCHEMBL1008524 0.81 ALDH1A1 (0.48) CNR2RAB9AHTTNPC1MITF
SCHEMBL28704815 0.79 RAB9A (0.37) RAB9ANPC1SMN1; SMN2KMT2ACA12
SCHEMBL25366576 0.76 CNR2 (0.59) CNR2RAB9AHTTNPC1MITF
SCHEMBL28692963 0.73 CDK4 (0.30)
SCHEMBL10704992 0.72 CNR2 (0.45) CNR2RAB9AHTTNPC1MITF
SCHEMBL31574319 0.71 CNR2 (0.46) CNR2RAB9AHTTNPC1MITF
SCHEMBL9376742 0.70 CNR2 (0.45) CNR2RAB9AHTTNPC1MITF
SCHEMBL9376739 0.69 CNR2 (0.44) CNR2RAB9AHTTNPC1MITF
SCHEMBL15566620 0.67 CNR2 (0.59) CNR2RAB9AHTTNPC1MITF
SCHEMBL13267231 0.67 ALDH1A1 (0.46) CNR2LMNAALDH1A1SMN1; SMN2POLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113939295-A Pyridazinones and methods of use thereof 金翅雀生物公司 2022-01-14 CN disclosed