SCHEMBL749645

SCHEMBL749645

[CH2]c1nc(C(=O)NC)co1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.38
HDAC8 Q9BY41 9/20 0.38
HDAC6 Q9UBN7 9/20 0.38
BAZ2B Q9UIF8 1/20 0.37
HPGD P15428 1/20 0.36
BRD4 O60885 1/20 0.36
RAB9A P51151 2/20 0.35
CNR1 P21554 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.34
TBXA2R P21731 1/20 0.33

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
SCHEMBL2304405 0.80 NPC1 (0.42) HDAC1HDAC8HDAC6HPGDRAB9A
SCHEMBL158296 0.78 HDAC1 (0.39) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL749646 0.78 HDAC1 (0.42) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL4480406 0.77 HDAC1 (0.38) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL21423708 0.77 FBP1 (0.49) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL18236189 0.77 HDAC1 (0.45) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL2308233 0.75
SCHEMBL2307275 0.75 NPC1 (0.43) HPGDRAB9ANPC1
SCHEMBL25153630 0.74 HDAC6 (0.40) HDAC1HDAC8HDAC6BAZ2BHPGD
SCHEMBL26795642 0.74 IRAK4 (0.40) HDAC1HDAC8HDAC6BAZ2BHPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP claimed
EP-2430012-B1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-05 EP claimed
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP claimed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO claimed
EP-2430006-B1 CYCLOPENTA[C]PYRROLE-2-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-26 EP disclosed
EP-2430012-B1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-11-05 EP disclosed
EP-2430012-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-21 EP disclosed
WO-2010130945-A1 7-AZA-SPIRO[3.5]NONANE-7-CARBOXYLATE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed