SCHEMBL1129314

SCHEMBL1129314

O=C(NC(c1ccc(Oc2ccccc2)cc1)c1nccnc1Cl)C1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
DRD2 P14416 4/20 0.46
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RECQL P46063 1/20 0.43
HPGD P15428 2/20 0.42
ACACB O00763 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
ABL1 P00519 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
EPHX2 P34913 1/20 0.40
RAB9A P51151 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
SCHEMBL1128867 0.99 LMNA (0.52) LMNADRD2HTTKDM4EMEN1
SCHEMBL17896066 0.92 LMNA (0.44) LMNADRD2HTTKDM4EMEN1
SCHEMBL17895870 0.92 LMNA (0.44) LMNADRD2HTTKDM4EMEN1
SCHEMBL17895869 0.92 LMNA (0.44) LMNADRD2HTTKDM4EMEN1
SCHEMBL2459551 0.89 LMNA (0.63) LMNADRD2KDM4ERECQLHPGD
SCHEMBL2462033 0.81 LMNA (0.46) LMNADRD2HTTKDM4EMEN1
SCHEMBL2462310 0.81 LMNA (0.46) LMNADRD2HTTKDM4EMEN1
SCHEMBL2462459 0.81 LMNA (0.46) LMNADRD2HTTKDM4EMEN1
SCHEMBL2463303 0.80 LMNA (0.45) LMNADRD2HTTKDM4EMEN1
SCHEMBL2464625 0.80 LMNA (0.51) LMNADRD2RECQLHPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed