SCHEMBL30989727

SCHEMBL30989727

CCSc1cc(Br)cnc1NN

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.39
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.33
GRM5 P41594 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDPK1 O15530 1/20 0.32
MEN1 O00255 2/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
PKM P14618 2/20 0.31

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
SCHEMBL21586218 1.00 AOC3 (0.39) AOC3MAPTSMN1; SMN2KMT2AHTT
SCHEMBL31595325 0.81 MAPT (0.36) AOC3MAPTSMN1; SMN2KMT2AHTT
SCHEMBL20819261 0.77 HTT (0.42) AOC3MAPTSMN1; SMN2KMT2AHTT
SCHEMBL29787141 0.77 HTT (0.42) AOC3MAPTSMN1; SMN2KMT2AHTT
SCHEMBL24300300 0.75 HTT (0.36) AOC3MAPTSMN1; SMN2KMT2AHTT
SCHEMBL17504792 0.75 SMN1; SMN2 (0.39) AOC3MAPTSMN1; SMN2KMT2AHTT
SCHEMBL30630201 0.75 HTT (0.36) AOC3MAPTSMN1; SMN2KMT2AHTT
SCHEMBL18423159 0.75 KDM4E (0.46) MAPTSMN1; SMN2KMT2AHTTKDM4E
SCHEMBL21538379 0.74 HTT (0.35) AOC3MAPTSMN1; SMN2KMT2AHTT
SCHEMBL30110292 0.74 HTT (0.35) AOC3MAPTSMN1; SMN2KMT2AHTT

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-118355004-A Cyclopropyl- (heteroaryl) -substituted ethylsulfonyl-pyridine derivatives 勃林格殷格翰动物保健有限公司 2024-07-16 CN disclosed