SCHEMBL27767828

SCHEMBL27767828

N#Cc1cc(-c2ccccc2)n2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.46
MAOB P27338 2/20 0.46
PLAUR Q03405 1/20 0.42
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 8/20 0.40
HPGD P15428 6/20 0.40
GAA P10253 3/20 0.40
GLA P06280 3/20 0.40
L3MBTL1 Q9Y468 5/20 0.39
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
NCOA3 Q9Y6Q9 2/20 0.39
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
FLT3 P36888 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL543429 0.85 RORC (0.40)
SCHEMBL7586432 0.84 CYP11B2 (0.45) MAOAKDM4EALDH1A1GAAGLA
SCHEMBL343467 0.78 XDH (0.52)
SCHEMBL343950 0.78 ALDH1A1 (0.42) KDM4EALDH1A1HPGDGAALMNA
SCHEMBL17372804 0.78 HTR7 (0.40) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL28481204 0.78 ALDH1A1 (0.39) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL10123878 0.77 SLC22A12 (0.38) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL343003 0.77 PPM1B (0.40)
SCHEMBL10123766 0.77 RORC (0.46) KMT2AMEN1FLT3
SCHEMBL27897608 0.77 KDM4E (0.38) MAOAMAOBKDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101486710-B Method for synthesizing 3-halogenated indolizine compound SHANGHAI INST ORGANIC CHEM 2011-04-06 CN disclosed
CN-101486710-A Method for synthesizing 3-halogenated indolizine compound SHANGHAI INST ORGANIC CHEM (CN) 2009-07-22 CN disclosed