SCHEMBL28032722

SCHEMBL28032722

O=C(c1ccc(Oc2ccccc2)cc1)c1ccccc1I

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 8/20 0.61
PARP10 Q53GL7 1/20 0.53
POLB P06746 1/20 0.51
BCL2 P10415 3/20 0.51
MCL1 Q07820 3/20 0.51
BAD Q92934 1/20 0.51
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
KMT2A Q03164 1/20 0.45

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
SCHEMBL3843545 0.96 SRD5A2 (0.55) SRD5A2PARP10POLBBCL2MCL1
SCHEMBL3839090 0.89 AKR1C3 (0.53) SRD5A2PARP10POLBBCL2MCL1
SCHEMBL10537061 0.87 SRD5A2 (0.71) SRD5A2PARP10POLBBCL2MCL1
SCHEMBL936088 0.84 SRD5A2 (0.54) SRD5A2PARP10POLBBCL2MCL1
SCHEMBL154090 0.83 AKR1C3 (0.61) SRD5A2KMT2A
SCHEMBL3838111 0.83 AKR1C3 (0.50) SRD5A2KMT2A
SCHEMBL1443484 0.82 SRD5A2 (0.70) SRD5A2PARP10POLBBCL2MCL1
SCHEMBL3845299 0.81 AKR1C3 (0.54) SRD5A2KMT2A
SCHEMBL1082112 0.81 SRD5A2 (0.88) SRD5A2PARP10POLBERCC5FEN1
SCHEMBL2866068 0.81 SRD5A2 (0.88) SRD5A2PARP10POLBERCC5FEN1

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
CN-102471494-B star polymer Robert Bosch Ltd. (DE) 2015-11-25 CN disclosed