SCHEMBL14714286

SCHEMBL14714286

CCC(C)c1ccc(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL4068758 0.81 HTT (0.58) ALDH1A1KMT2AMEN1HTTRAB9A
SCHEMBL5738819 0.80 KMT2A (0.62) ALDH1A1KMT2AMEN1HTTRAB9A
SCHEMBL10181449 0.76 TSHR (0.53) ALDH1A1KMT2AMEN1RAB9ATSHR
SCHEMBL3754398 0.74 ALDH1A1 (0.51) ALDH1A1TSHR
SCHEMBL8250667 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1TSHR
SCHEMBL10179790 0.73 PSIP1 (0.50) ALDH1A1KMT2AMEN1TSHR
SCHEMBL10178756 0.72 PSIP1 (0.52) ALDH1A1KMT2AMEN1TSHR
SCHEMBL2287025 0.72 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1HTTTSHR
SCHEMBL12473501 0.72 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1HTTRAB9A
SCHEMBL2398421 0.72 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1TSHR

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-20130045445-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN FILM THEREFROM AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2013-02-21 US disclosed