SCHEMBL8929882

SCHEMBL8929882

Cl[Mn]Cl.c1cc(-c2ncco2)nc(-c2ncco2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.40
LTA4H P09960 1/20 0.39
ROCK2 O75116 2/20 0.38
CCR1 P32246 2/20 0.38
CCR5 P51681 2/20 0.38
CCR8 P51685 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
ALPL P05186 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIN1 Q13526 1/20 0.37

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
SCHEMBL315001 0.92 HPGDS (0.44) HPGDSLTA4HROCK2CCR1CCR5
SCHEMBL16159612 0.80 BRD4 (0.44) HPGDSLTA4HROCK2CCR1CCR5
SCHEMBL17704344 0.80 BRD4 (0.41) HPGDSLTA4HROCK2CCR1CCR5
SCHEMBL28714481 0.79 HPGDS (0.39) HPGDSLTA4HROCK2CCR1CCR5
SCHEMBL14535515 0.79 CCR1 (0.54) HPGDSLTA4HCCR1CCR8TP53
SCHEMBL16159731 0.79 BRD4 (0.43) HPGDSLTA4HCCR1CCR5CCR8
SCHEMBL16159693 0.79 LTA4H (0.45) HPGDSLTA4HROCK2CCR1CCR5
SCHEMBL16159709 0.79 BRD4 (0.40) HPGDSLTA4HROCK2CCR1CCR5
SCHEMBL17704349 0.78 HPGDS (0.38) HPGDSLTA4HROCK2CCR1CCR5
SCHEMBL13766600 0.75 TGFBR1 (0.38) HPGDSLTA4HSMN1; SMN2LMNAL3MBTL1

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
JP-9132797-A None JP disclosed
JP-H09132797-A MILDEW STAIN DETERGENT COMPOSITION MITSUI TOATSU CHEM INC 1997-05-20 JP disclosed