SCHEMBL28784681

SCHEMBL28784681

O=C(c1cnn(-c2cccnc2)c1)c1cnn(-c2cccnc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.56
ALKBH2 Q6NS38 1/20 0.56
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
MAPT P10636 5/20 0.54
HPGD P15428 3/20 0.54
HTT P42858 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
CYP2A6 P11509 1/20 0.49
PRMT5 O14744 1/20 0.48
RIPK2 O43353 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL1556313 0.89 ALKBH2 (0.73) HPGDSALKBH2NPC1RAB9AMAPT
SCHEMBL29544594 0.89 ALKBH2 (0.73) HPGDSALKBH2NPC1RAB9AMAPT
SCHEMBL23846557 0.87 F7 (0.54) HPGDSALKBH2NPC1RAB9AMAPT
SCHEMBL1554748 0.87 ALKBH2 (0.53) HPGDSALKBH2NPC1RAB9AMAPT
SCHEMBL12410370 0.87 ALKBH2 (0.53) HPGDSALKBH2NPC1RAB9AMAPT
Hydrochloric Acid SCHEMBL1680337 0.86 ALKBH2 (0.51) HPGDSALKBH2NPC1RAB9AMAPT
SCHEMBL27862942 0.84 GRM1 (0.54) HPGDSALKBH2NPC1RAB9AMAPT
SCHEMBL12410371 0.83 HPGDS (0.49) HPGDSALKBH2NPC1RAB9AMAPT
SCHEMBL18682731 0.83 MKNK1 (0.55) HPGDSALKBH2NPC1RAB9AMAPT
SCHEMBL7729542 0.82 HPGDS (0.79) HPGDSALKBH2NPC1RAB9AMAPT

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-102850324-A Indole compounds MICROBIA INC 2013-01-02 CN disclosed
CN-101563337-A Indole compounds MICROBIA INC (US) 2009-10-21 CN disclosed