SCHEMBL27768698

SCHEMBL27768698

O=C(c1ncc(-c2ccncc2)s1)c1ncc(-c2ccncc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
LIMK1 P53667 1/20 0.45
ROCK1 Q13464 1/20 0.44
CDC7 O00311 2/20 0.44
DBF4 Q9UBU7 2/20 0.44
KDR P35968 2/20 0.42
CSNK2A1 P68400 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B1 P14061 2/20 0.39

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
SCHEMBL14496869 0.87 CSNK2A1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL742466 0.85 CSNK2A1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15896467 0.85 LIMK1 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
Lithium Ion SCHEMBL742465 0.84 ROCK1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28781367 0.82 KDR (0.56) HDAC4HDAC1HDAC6KDRCSNK2A1
SCHEMBL15893969 0.82 LIMK1 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27790185 0.81 MKNK1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL741620 0.81 ALDH1A1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31657695 0.74 HSD17B1 (0.50) LIMK1CDC7DBF4KDRHSD17B1
SCHEMBL28644113 0.73 CDC7 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2

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