SCHEMBL11113968

SCHEMBL11113968

C=CCN(OCC)C(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LSS P48449 3/20 0.43
RAB9A P51151 1/20 0.40
NSD2 O96028 1/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
CASP3 P42574 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
TSHR P16473 1/20 0.37
HTR7 P34969 1/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
OPRD1 P41143 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL31453528 0.76 SMN1; SMN2 (0.60) SMN1; SMN2LSSRAB9ANSD2KMT2A
SCHEMBL11115180 0.73 TSHR (0.49) SMN1; SMN2LSSRAB9AKMT2AMEN1
SCHEMBL3865772 0.72 TSHR (0.38) RAB9AMAPTTSHRLMNACYP1A2
SCHEMBL8324345 0.71 SMN1; SMN2 (0.43) SMN1; SMN2LSSRAB9ANSD2KMT2A
SCHEMBL11114846 0.70 MAOA (0.42) SMN1; SMN2LSSRAB9ANSD2MAOB
SCHEMBL11107395 0.70 ALDH1A1 (0.38) KMT2AMEN1MAPTTSHRALDH1A1
SCHEMBL11110109 0.70 ALDH1A1 (0.38) KMT2AMEN1MAPTTSHRLMNA
SCHEMBL10385413 0.70 SMN1; SMN2 (0.45) SMN1; SMN2LSSRAB9ANSD2HTR7
SCHEMBL11109685 0.69 TSHR (0.57) SMN1; SMN2LSSRAB9AKMT2AMEN1
SCHEMBL29172962 0.69 RAB9A (0.43) SMN1; SMN2RAB9ANSD2KMT2AHTR7

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
EP-0103895-A2 Novel hydroxylamine derivatives, production and use thereof MEIJI SEIKA KABUSHIKI KAISHA (JP) 1984-03-28 EP disclosed