SCHEMBL27768683

SCHEMBL27768683

O=C(c1csc(-c2ccncc2)n1)c1csc(-c2ccncc2)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.68
LMNA P02545 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 1/20 0.53
HDAC6 Q9UBN7 3/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
IDE P14735 1/20 0.49
MAPK10 P53779 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP19A1 P11511 1/20 0.49
KDM4E B2RXH2 1/20 0.49
AR P10275 1/20 0.49

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
SCHEMBL657641 0.87 ALDH1A1 (0.70) HPGDLMNAMAPTKMT2AMEN1
SCHEMBL4735788 0.85 HPGD (0.64) HPGDLMNAMAPTKMT2AMEN1
SCHEMBL6202834 0.85 HPGD (0.64) HPGDLMNAMAPTKMT2AMEN1
SCHEMBL8278408 0.85 HPGD (0.69) HPGDLMNAMAPTKMT2AMEN1
SCHEMBL27768678 0.85 HDAC1 (0.70) HPGDLMNAMAPTKMT2AMEN1
SCHEMBL11118469 0.82 HPGD (0.60) HPGDLMNAMAPTKMT2AMEN1
SCHEMBL28784680 0.81 HDAC6 (0.74) MAPTMAPK1ALDH1A1HDAC6TLR7
SCHEMBL2555278 0.81 HPGD (0.72) HPGDLMNAMAPTKMT2AMEN1
SCHEMBL2551476 0.81 HPGD (0.68) HPGDLMNAMAPTKMT2AMEN1
SCHEMBL11118491 0.81 HPGD (0.59) HPGDLMNAMAPTKMT2AMEN1

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