SCHEMBL8809974

SCHEMBL8809974

NCC(C(=O)OCc1ccc([N+](=O)[O-])cc1)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
IDO1 P14902 2/20 0.49
ALDH1A1 P00352 2/20 0.48
HTR2A P28223 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
AKR1C3 P42330 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.43
ITGA4 P13612 1/20 0.43
ITGB7 P26010 1/20 0.43

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
SCHEMBL10500167 0.80 IDO1 (0.54) RAB9AIDO1ALDH1A1HTR2ALOXL2
SCHEMBL8345779 0.80 CA1 (0.49) RAB9AALDH1A1CA12CA1CA2
SCHEMBL8809981 0.78 RAB9A (0.49) RAB9AIDO1ALDH1A1HTR2ACA12
SCHEMBL11158412 0.77 TSHR (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL9782567 0.76 IDO1 (0.56) RAB9AIDO1ALDH1A1HTR2AAKR1C3
SCHEMBL9820376 0.76 IDO1 (0.56) RAB9AIDO1ALDH1A1HTR2AAKR1C3
SCHEMBL9670638 0.76 IDO1 (0.56) RAB9AIDO1ALDH1A1HTR2ALOXL2
SCHEMBL5724177 0.75 IDO1 (0.59) RAB9AIDO1ALDH1A1HTR2ALOXL2
SCHEMBL8247254 0.75 HTR2A (0.60) RAB9AIDO1ALDH1A1HTR2AAKR1C3
SCHEMBL1013 0.75 IDO1 (0.62) RAB9AIDO1ALDH1A1HTR2ALOXL2

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
EP-0617737-B1 METHOD FOR SELECTING RECOMBINANT MICRO-ORGANISMS OF WHICH THE SURFACE COMPRISES AT LEAST ONE MOLECULE HAVING ENZYMATIC ACTIVITY UNIV CATHOLIQUE LOUVAIN (BE) 1997-01-15 EP disclosed