SCHEMBL9557452

SCHEMBL9557452

CC(C)(C)[Si](C)(C)OCCCCCCNC(=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.55
EPHX1 P07099 1/20 0.54
CA14 Q9ULX7 2/20 0.49
CA3 P07451 2/20 0.49
CA5A P35218 2/20 0.49
CA5B Q9Y2D0 2/20 0.49
CA12 O43570 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.34
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2551625 0.83 TDP1 (0.37) POLBEPHX1CA12CA2CA9
SCHEMBL22774011 0.83 TDP1 (0.37) POLBEPHX1CA12CA2CA9
SCHEMBL24243979 0.82 SMN1; SMN2 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL3757198 0.81 DUT (0.35) MEN1KMT2APOLBCA12CA2
SCHEMBL29750157 0.80 CA14 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL5623734 0.80 MAOA (0.36) CA12CA2CA9TDP1CA1
SCHEMBL2877636 0.79 DUT (0.36) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL29549866 0.79 TDP1 (0.59) MEN1KMT2APOLBCA12CA2
SCHEMBL14680159 0.79 TDP1 (0.59) MEN1KMT2APOLBCA12CA2
SCHEMBL25773852 0.77 MEN1 (0.70) MEN1KMT2AALDH1A1SMN1; SMN2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5210203-A Sulfonamide-derivative compounds for tagging nucleic acid probes SISKA DIAGNOSTICS, INC. (US) 1993-05-11 US disclosed
US-5130446-A Derivatives of fluoroscein or rhodamine SISKA DIAGNOSTICS, INC. (US) 1992-07-14 US disclosed
EP-0209996-A2 Nucleic acid probes comprising N4 -(substituted amino)cytidines SISKA DIAGNOSTICS,INC. (US) 1987-01-28 EP disclosed