SCHEMBL3232883

SCHEMBL3232883

CCCCNCc1cc(-c2ccccc2)nc(Cl)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TLR8 Q9NR97 1/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA1 P30542 3/20 0.41
CTSK P43235 1/20 0.41
NPC1 O15118 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL3233802 0.78 TLR8 (0.71) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL3229910 0.76 MEN1 (0.54) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL3450738 0.71 MEN1 (0.66) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL782567 0.70 MEN1 (1.00) ALDH1A1L3MBTL1MEN1KMT2AHPGD
SCHEMBL13510002 0.69 HPGD (0.59) ALDH1A1L3MBTL1HPGDKDM4ENPC1
SCHEMBL27873804 0.69 TLR8 (0.62) ALDH1A1HPGDSMN1; SMN2TLR8KDM4E
Biphenyl SCHEMBL7742046 0.68 SIGMAR1 (0.59) ALDH1A1SMN1; SMN2KDM4EACP1
SCHEMBL21444460 0.68 MEN1 (0.65) ALDH1A1L3MBTL1MEN1KMT2AHPGD
Ammonia Solution, Strong SCHEMBL28964330 0.67 MAOA (0.69) MEN1KMT2ASMN1; SMN2MAPTTDP1
SCHEMBL24212278 0.67 MEN1 (0.91) ALDH1A1L3MBTL1MEN1KMT2AHPGD

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
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed