SCHEMBL28047883

SCHEMBL28047883

O=Cc1c[nH]c2cc(Cc3cccc(F)c3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SNCA P37840 9/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DAO P14920 1/20 0.36
MAP3K7 O43318 1/20 0.36
TAB1 Q15750 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL29953488 0.75 CCNT1 (0.38) ALDH1A1
SCHEMBL28068048 0.75 HTR2A (0.46) HTR2CHTR2B
SCHEMBL23726002 0.74 CCNT1 (0.35) ALDH1A1
SCHEMBL28036822 0.71 QPCTL (0.40) SNCASMN1; SMN2DAOHCAR2HTR2C
SCHEMBL21395201 0.71 MAOB (0.43) SNCAMAOAMAOBALDH1A1LMNA
SCHEMBL28195435 0.68 QPCTL (0.55)
SCHEMBL2549215 0.68 CCNT1 (0.39) ALDH1A1LMNATDP1
SCHEMBL29954886 0.68 CCNT1 (0.39) ALDH1A1LMNATDP1
SCHEMBL28194824 0.68 MEN1 (0.38) MAOAMAOBDAOHCAR2
SCHEMBL29956035 0.67 CCNT1 (0.38) ALDH1A1

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-105189481-A Pyridine cdk9 kinase inhibitors ABBVIE INC 2015-12-23 CN disclosed