SCHEMBL9010800

SCHEMBL9010800

[N-]=[N+]=C(C(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
ENPP2 Q13822 1/20 0.42
CYP1B1 Q16678 1/20 0.42
GPR27 Q9NS67 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EGFR P00533 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL384240 0.89 ALDH1A1 (0.50) CES2CES1ENPP2SMN1; SMN2ALDH1A1
SCHEMBL27616937 0.86 CES2 (0.44) CES2CES1ALDH1A1ALOX12CA1
SCHEMBL29515643 0.86 KAT6A (0.48) CES2CES1SMN1; SMN2ALDH1A1AKR1C3
SCHEMBL382665 0.86 KAT6A (0.48) CES2CES1SMN1; SMN2ALDH1A1AKR1C3
SCHEMBL546386 0.83 CES2 (0.45) CES2CES1SMN1; SMN2MEN1ALDH1A1
SCHEMBL384241 0.80 KMT2A (0.39) CES2CES1SMN1; SMN2KDM4EMEN1
SCHEMBL9010850 0.79 CA2 (0.49) CES2CES1CYP1B1SMN1; SMN2MEN1
SCHEMBL8637821 0.79 KMT2A (0.53) CES2CES1ENPP3ENPP1CYP1B1
SCHEMBL384366 0.79 CES2 (0.51) CES2CES1CYP1B1SMN1; SMN2MEN1
SCHEMBL9010819 0.79 BRD4 (0.44) SMN1; SMN2MEN1ALDH1A1EGFRTP53

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