SCHEMBL9702803

SCHEMBL9702803

NNC(=O)CCCCC(=O)NN.NNC(=O)Cc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ATM Q13315 1/20 0.54
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
PTGER4 P35408 1/20 0.51

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
SCHEMBL38664746 0.92 TDP1 (0.62) TDP1KMT2AMEN1ATMCA12
SCHEMBL1411297 0.92 TDP1 (0.62) TDP1KMT2AMEN1ATMCA12
Phenylhydrazine SCHEMBL1410333 0.84 TDP1 (0.57) TDP1KMT2AMEN1ATMCA12
SCHEMBL28372184 0.77 TDP1 (0.65) TDP1KMT2AMEN1ATMCA12
SCHEMBL13485778 0.77 TDP1 (0.65) TDP1KMT2AMEN1ATMCA12
SCHEMBL13973365 0.77 CA2 (0.57) KMT2AMEN1CA12CA1CA2
SCHEMBL7199438 0.76 ATM (0.65) TDP1KMT2AMEN1ATMHPGD
SCHEMBL6530771 0.76 TDP1 (0.62) TDP1KMT2AMEN1ATMCA12
SCHEMBL11419959 0.76 TDP1 (0.62) TDP1KMT2AMEN1ATMCA12
SCHEMBL14504321 0.75 TDP1 (0.57) TDP1KMT2AMEN1ATMCA12

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-1992003732-A2 COMPOSITIONS AND METHODS FOR ENHANCED BINDING IN BIOLOGICAL ASSAYS BIOPROBE INTERNATIONAL, INC. (US) 1992-03-05 WO disclosed