SCHEMBL9010850

SCHEMBL9010850

[N-]=[N+]=C(C(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.49
HSD11B1 P28845 1/20 0.49
CA1 P00915 4/20 0.46
CA4 P22748 4/20 0.46
CA9 Q16790 4/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
CYP1B1 Q16678 1/20 0.40
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
AKR1C3 P42330 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL546386 0.89 CES2 (0.45) CA2HSD11B1CA1CA4CA9
SCHEMBL9010901 0.85 KMT2A (0.51) CA2CA1CA4CA9CES2
SCHEMBL384366 0.85 CES2 (0.51) HSD11B1CES2CES1CYP1B1KMT2A
SCHEMBL8637821 0.85 KMT2A (0.53) CA2HSD11B1CA1CA4CA9
SCHEMBL9010819 0.84 BRD4 (0.44) CA2HSD11B1CA1CA9EGFR
SCHEMBL9015170 0.81 ALDH1A1 (0.55) CA2HSD11B1CA1KMT2AMEN1
SCHEMBL9010827 0.81 ALDH1A1 (0.57) CA2HSD11B1CA1CES2CES1
SCHEMBL9010875 0.81 MAPT (0.46) CA2CA1KMT2AMEN1ALDH1A1
SCHEMBL9010800 0.79 CES2 (0.53) CA2CA1CA4CA9CES2
SCHEMBL384364 0.79 CES2 (0.51) HSD11B1CES2CES1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417556-B1 Positive-working radiation-sensitive mixture and recording material prepared therefrom HOECHST AG (DE) 1996-12-11 EP disclosed
EP-0444493-B1 Negative working radiation sensitive composition and radiation sensitive recording material produced therefrom HOECHST AG (DE) 1996-11-20 EP disclosed
US-5424166-A Negative-working radiation-sensitive mixture containing diazomethane acid generator and a radiation-sensitive recording material produced therfrom HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-13 US disclosed
US-5340682-A Sensitive, heat resistant, noncorrosive HOECHST AKTIENGESELLSCHAFT (DE) 1994-08-23 US disclosed
EP-0444493-A2 Negative working radiation sensitive composition and radiation sensitive recording material produced therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1991-09-04 EP disclosed
EP-0417556-A2 Positive-working radiation-sensitive mixture and recording material prepared therefrom HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-20 EP disclosed