SCHEMBL27301133

SCHEMBL27301133

C#CCN1c2ccccc2OCC1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ GAA P10253 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 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
SCHEMBL27501737 0.81 CHRNB4 (0.33) —
SCHEMBL27499691 0.81 SMN1; SMN2 (0.40) SMN1; SMN2NPSR1LMNANPC1TP53
SCHEMBL27320266 0.77 CHRNB4 (0.39) SMN1; SMN2LMNATP53MEN1KMT2A
SCHEMBL27528752 0.75 ALDH1A1 (0.35) SMN1; SMN2NPSR1LMNANPC1TP53
SCHEMBL27312472 0.74 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1LMNANPC1TP53
SCHEMBL27517106 0.72 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1LMNANPC1TP53
SCHEMBL27520107 0.72 SMN1; SMN2 (0.38) SMN1; SMN2NPSR1LMNANPC1TP53
SCHEMBL27579973 0.70 — —
SCHEMBL11559838 0.68 NOTUM (0.36) SMN1; SMN2NPSR1LMNANPC1TP53
SCHEMBL9849606 0.67 KMT2A (0.40) SMN1; SMN2LMNAHPGDMEN1KMT2A

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-1032479-A Replace azoles and its method for making of piperazine compounds and weeding purpose SCHERING AG (DE) 1989-04-26 — — CN disclosed
Send feedback