SCHEMBL30786706

SCHEMBL30786706

O=C(C=CC1CCCCC1)c1nc2ccccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.60
SMN1; SMN2 Q16637 5/20 0.53
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RECQL P46063 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
NPY1R P25929 1/20 0.50
NTSR1 P30989 1/20 0.50
NPY2R P49146 1/20 0.50
PADI4 Q9UM07 3/20 0.49
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL29183540 1.00 FAAH (0.60) FAAHSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL30786707 1.00 FAAH (0.60) FAAHSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL11795043 0.81 MAPT (0.68) FAAHSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL18866434 0.76 MAPT (0.66) FAAHSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL456347 0.73 FAAH (0.47) FAAHSMN1; SMN2KMT2AMAPTMEN1
SCHEMBL5194755 0.70 PADI4 (0.50) SMN1; SMN2KMT2AMAPTRECQLNPSR1
SCHEMBL5194748 0.70 PADI4 (0.50) SMN1; SMN2KMT2AMAPTRECQLNPSR1
SCHEMBL19322686 0.70 PADI4 (0.50) SMN1; SMN2KMT2AMAPTRECQLNPSR1
SCHEMBL9550444 0.70 LMNA (0.53) FAAHSMN1; SMN2MAPTALDH1A1PKM
SCHEMBL5918186 0.70 MAPT (0.74) FAAHSMN1; SMN2KMT2AMAPTMEN1

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-117820324-A Benzimidazole spiro hybrid and medical application thereof 长治学院 2024-04-05 CN disclosed