Propane

Propane

SCHEMBL9823974

CC.CCC.CSc1cccnc1.OP(O)(O)=S.OP(O)(O)=S

nearest known ligand 0.40

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
FDPS P14324 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL272037 0.82
SCHEMBL30668848 0.82
Methylphenylsulfide SCHEMBL9441454 0.78 MEN1 (0.39) SMN1; SMN2MEN1KMT2AMAPT
Acetic Acid SCHEMBL28049616 0.75 ALDH1A1 (0.47) HTTSMN1; SMN2MEN1KMT2AGAA
Phosphonic Acid SCHEMBL9637901 0.75 MEN1 (0.41) HTTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL9637905 0.70 MEN1 (0.38) HTTSMN1; SMN2MEN1KMT2AGAA
SCHEMBL20876585 0.69 HTT (0.44) HTTSMN1; SMN2GAA
SCHEMBL9036434 0.69
Methylphenylsulfide SCHEMBL11437167 0.68 KMT2A (0.39) NOS3NOS1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL27581565 0.67 RAB9A (0.49) NOS3NOS1NOS2SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3153693-A None JP disclosed
JP-H03153693-A LOW TOXIC PYRIDYL PHOSPHATE DERIVATIVE AND INSECTICIDAL, ACARICIDAL AND NEMATOCIDAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT NIPPON KAYAKU CO LTD 1991-07-01 JP disclosed