SCHEMBL44548

SCHEMBL44548

O=C(Cc1cnno1)NCC1CCCO1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
HSD17B10 Q99714 3/20 0.55
USP2 O75604 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 8/20 0.52
TP53 P04637 2/20 0.52
ALOX12 P18054 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL14297340 0.72 KDM4E (0.76) POLBKDM4ELMNAHSD17B10SMN1; SMN2
SCHEMBL15033485 0.71 POLB (1.00) POLBKDM4ELMNAHSD17B10USP2
SCHEMBL26789169 0.70 USP2 (0.70) POLBKDM4ELMNAUSP2SMN1; SMN2
SCHEMBL26789172 0.70 USP2 (0.70) POLBKDM4ELMNAUSP2SMN1; SMN2
SCHEMBL25739943 0.70 SMN1; SMN2 (0.70) POLBKDM4ELMNAHSD17B10USP2
SCHEMBL4055789 0.70 SMN1; SMN2 (0.70) POLBKDM4ELMNAHSD17B10USP2
SCHEMBL8288440 0.70 SMN1; SMN2 (0.70) POLBKDM4ELMNAHSD17B10USP2
SCHEMBL8288443 0.70 SMN1; SMN2 (0.70) POLBKDM4ELMNAHSD17B10USP2
SCHEMBL4051295 0.70 SMN1; SMN2 (0.70) POLBKDM4ELMNAHSD17B10USP2
SCHEMBL3154658 0.70 USP2 (0.70) POLBKDM4ELMNAUSP2SMN1; 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-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO claimed
WO-2011137587-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2011-11-10 WO disclosed