SCHEMBL2656965

SCHEMBL2656965

NC(=O)c1ccc2c(=O)[nH]c(C3CC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
KDM4E B2RXH2 2/20 0.44
RECQL P46063 1/20 0.44
USP30 Q70CQ3 1/20 0.43
PARP1 P09874 4/20 0.42
PARG Q86W56 1/20 0.41
GLA P06280 1/20 0.41
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
TYK2 P29597 3/20 0.40
JAK3 P52333 3/20 0.40
TMIGD3 P0DMS9 1/20 0.40
ADORA1 P30542 1/20 0.40
GAA P10253 1/20 0.40
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2619345 0.80 HDAC6 (0.46) ROCK2KDM4ERECQLPARGSMN1; SMN2
SCHEMBL8020584 0.79 ROCK2 (0.47) ROCK2KDM4EUSP30PARP1PARG
SCHEMBL2118710 0.79 HDAC6 (0.46) KDM4ERECQLSMN1; SMN2HPGD
SCHEMBL2723566 0.79 KDM4E (0.49) KDM4ERECQLPARP1GLAGAA
SCHEMBL4550187 0.78 HDAC6 (0.43) ROCK2KDM4ERECQLPARP1PARG
SCHEMBL29964971 0.77 ROCK2 (0.49) ROCK2KDM4EPARP1PARGTMIGD3
SCHEMBL29965128 0.77 ROCK2 (0.46) ROCK2KDM4ERECQLPARP1PARG
SCHEMBL28004053 0.73 PARP1 (0.62) ROCK2PARP1PARGHPGD
SCHEMBL16404341 0.73 PARP1 (0.62) ROCK2PARP1PARGHPGD
SCHEMBL29965041 0.72 TUBB4A (0.50) ROCK2KDM4EPARP1PARGGAA

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
EP-2001875-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-12-17 EP claimed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 WO claimed