SCHEMBL1668846

SCHEMBL1668846

O=C(O)NCc1cccc(C2CCN(C(=O)c3cccc(OCC(O)CO)c3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 3/20 0.46
PARP10 Q53GL7 3/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DRD4 P21917 1/20 0.40
ABCB1 P08183 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 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
SCHEMBL1668831 0.88 PARP14 (0.40) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL13836299 0.87 PARP14 (0.48) PARP14PARP10
SCHEMBL1671688 0.87 PARP14 (0.48) PARP14PARP10
SCHEMBL13967549 0.87 PARP14 (0.46) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL1669148 0.86 POLB (0.42) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL1668681 0.84 MGLL (0.48) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL1668601 0.81 PARP14 (0.44) PARP14PARP10ALDH1A1KDM4ELMNA
SCHEMBL14879836 0.80 MGLL (0.51) PARP14PARP10KMT2ACCR3
SCHEMBL1668837 0.80 MGLL (0.56)
SCHEMBL1670879 0.80 KMT2A (0.47) PARP14TSHRNPC1KMT2A

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
EP-2485678-A1 COFERONS AND METHODS OF MAKING AND USING THEM Cornell University (US) 2012-08-15 EP disclosed
WO-2011043817-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2011-04-14 WO disclosed