SCHEMBL9010827

SCHEMBL9010827

COc1ccc(C(=O)C(=[N+]=[N-])S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 3/20 0.57
KMT2A Q03164 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
HSD11B1 P28845 2/20 0.55
HTT P42858 1/20 0.49
TAS2R14 Q9NYV8 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
HSPD1 P10809 1/20 0.43
TNFRSF1A P19438 1/20 0.43
MAOB P27338 1/20 0.43
HSPE1 P61604 1/20 0.43
CYP1B1 Q16678 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 2/20 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
SCHEMBL9010786 0.88 ALDH1A1 (0.52) ALDH1A1RAB9AKMT2ASMN1; SMN2CES2
SCHEMBL9010756 0.85 HSD11B1 (0.57) ALDH1A1RAB9AKMT2ASMN1; SMN2CES2
SCHEMBL546386 0.85 CES2 (0.45) ALDH1A1RAB9AKMT2ASMN1; SMN2CES2
SCHEMBL384366 0.84 CES2 (0.51) ALDH1A1RAB9AKMT2ASMN1; SMN2CES2
SCHEMBL8637821 0.81 KMT2A (0.53) ALDH1A1KMT2ASMN1; SMN2CES2CES1
SCHEMBL6931275 0.81 HSD11B1 (0.51) ALDH1A1RAB9AKMT2ASMN1; SMN2CES2
SCHEMBL9010850 0.81 CA2 (0.49) ALDH1A1RAB9AKMT2ASMN1; SMN2CES2
SCHEMBL7720733 0.81 ELANE (0.51) ALDH1A1KMT2ACES2CES1MAPT
SCHEMBL7695453 0.81 MMP2 (0.40) ALDH1A1RAB9AKMT2ASMN1; SMN2CES2
SCHEMBL9015170 0.81 ALDH1A1 (0.55) ALDH1A1RAB9AKMT2AHSD11B1HTT

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