SCHEMBL13044481

SCHEMBL13044481

O=C(OCl)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
FABP5 Q01469 3/20 0.51
FABP7 O15540 2/20 0.51
EPHX2 P34913 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HTR2A P28223 1/20 0.41
CASP3 P42574 2/20 0.41
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL44676 0.89 KMT2A (0.58) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15058849 0.86 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL30396315 0.83 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL393445 0.83 KMT2A (0.50) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL17167370 0.83 KMT2A (0.56) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL15119354 0.83 KMT2A (0.60) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29783591 0.82 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL27547 0.82 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL12330571 0.82 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1
SCHEMBL29349891 0.82 KMT2A (0.55) KMT2AFABP5FABP7EPHX2CA1

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
US-7829555-B1 Drug targeting THE UNIVERSITY OF MANCHESTER (GB) 2010-11-09 US disclosed