SCHEMBL13077262

SCHEMBL13077262

O=C(NCC(=O)N1CCN(c2ccccc2-c2ccccc2)CC1)c1ccc(O)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
RAB9A P51151 1/20 0.64
POLB P06746 2/20 0.62
GAA P10253 2/20 0.62
EIF4H Q15056 1/20 0.59
GFER P55789 2/20 0.50
KCNH2 Q12809 2/20 0.48
CXCR3 P49682 1/20 0.48
DPP4 P27487 1/20 0.46
P2RY12 Q9H244 1/20 0.45
SMYD2 Q9NRG4 2/20 0.45
HTR1A P08908 2/20 0.44
DRD2 P14416 2/20 0.44
HTR7 P34969 1/20 0.43
NSD2 O96028 1/20 0.43
ALPL P05186 1/20 0.43

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
SCHEMBL3739089 0.88 KMT2A (0.73) KMT2ARAB9APOLBGAAEIF4H
SCHEMBL13039486 0.85 POLB (0.67) KMT2ARAB9APOLBGAAEIF4H
SCHEMBL13039610 0.85 POLB (0.76) KMT2ARAB9APOLBGAAEIF4H
SCHEMBL3746207 0.84 SMN1; SMN2 (0.64) KMT2ARAB9APOLBGAAEIF4H
SCHEMBL3739166 0.82 SMN1; SMN2 (0.53) KMT2ARAB9APOLBGAAEIF4H
SCHEMBL13077413 0.81 POLB (0.58) KMT2ARAB9APOLBGAAEIF4H
SCHEMBL163365 0.81 POLB (0.61) KMT2ARAB9APOLBGAAEIF4H
SCHEMBL163937 0.81 POLB (0.61) KMT2ARAB9APOLBGAAEIF4H
SCHEMBL113832 0.81 SMN1; SMN2 (0.53) KMT2ARAB9APOLBGAAEIF4H
SCHEMBL3732854 0.81 SMN1; SMN2 (0.53) KMT2ARAB9APOLBGAAEIF4H

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
WO-2010126811-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO disclosed