SCHEMBL13044613

SCHEMBL13044613

CCC(C)CNC(=O)c1ccc2cc3ccccc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.53
RAB9A P51151 2/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HDAC3 O15379 5/20 0.49
HDAC1 Q13547 5/20 0.49
HDAC2 Q92769 5/20 0.49
KMT2A Q03164 2/20 0.49
GAA P10253 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
NPC1 O15118 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47

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
SCHEMBL3037057 0.87 HDAC8 (0.51) NAMPTRAB9AOPRM1OPRD1SMN1; SMN2
SCHEMBL16866256 0.82 GAA (0.68) RAB9AOPRM1OPRD1SMN1; SMN2HDAC3
SCHEMBL17865782 0.81 NAMPT (0.58) NAMPTRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL19349021 0.80 NAMPT (0.58) NAMPTRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL799425 0.80 NAMPT (0.58) NAMPTRAB9ASMN1; SMN2KMT2AGAA
SCHEMBL1707183 0.79 PTPRC (0.57) NAMPTRAB9AKMT2AGAAHSD17B10
SCHEMBL13044590 0.78 KMT2A (0.45) NAMPTSMN1; SMN2KMT2AGAAHSD17B10
SCHEMBL21860419 0.78 ADRB2 (0.43) RAB9AOPRM1OPRD1SMN1; SMN2HDAC3
SCHEMBL13350424 0.78 GAA (0.55) NAMPTSMN1; SMN2KMT2AGAAHSD17B10
SCHEMBL1707501 0.78 RAB9A (0.63) NAMPTRAB9ASMN1; SMN2KMT2AGAA

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
US-7834067-B2 Pigment composition, ink composition, printed article, inkjet recording method and polyallylamine derivative FUJIFILM CORPORATION (JP) 2010-11-16 US disclosed
US-20090233062-A1 PIGMENT COMPOSITION, INK COMPOSITION, PRINTED ARTICLE, INKJET RECORDING METHOD AND POLYALLYLAMINE DERIVATIVE FUJIFILM CORPORATION (JP) 2009-09-17 US disclosed