SCHEMBL16618906

SCHEMBL16618906

O=C(O)c1ccc2ncc3nc[nH]c3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC6 Q9UBN7 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
PARP1 P09874 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
NPC1 O15118 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
IP6K1 Q92551 2/20 0.38
IP6K3 Q96PC2 2/20 0.38
IP6K2 Q9UHH9 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL17204225 0.88 KDM4E (0.39) SLC2A1KDM4ERAB9AALDH1A1HPGD
SCHEMBL4365069 0.82 CTNNB1 (0.47) SLC2A1KDM4ERAB9AALDH1A1HPGD
SCHEMBL263154 0.80 SLC2A1 (0.74) SLC2A1SMN1; SMN2PARP1IP6K1IP6K3
SCHEMBL27673206 0.78 KDM4E (0.47) SLC2A1KDM4ERAB9AALDH1A1HPGD
SCHEMBL4365079 0.76 CTNNB1 (0.47) SLC2A1KDM4ERAB9AALDH1A1HPGD
SCHEMBL30729983 0.75 TDP1 (0.41) KDM4ERAB9AALDH1A1HPGDHTT
SCHEMBL25021728 0.74 PARP1 (0.60) ALDH1A1PARP1CHEK1PIM1AKT1
SCHEMBL12182684 0.74 PARP1 (0.60) SLC2A1KDM4ESMN1; SMN2PARP1IP6K1
Acetic Acid SCHEMBL10727228 0.74 SMN1; SMN2 (0.49) SLC2A1KDM4ERAB9AALDH1A1HPGD
SCHEMBL5505380 0.74 IP6K1 (0.44) KDM4ERAB9AALDH1A1HPGDSMN1; SMN2

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
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO claimed
WO-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed