SCHEMBL9010786

SCHEMBL9010786

COc1ccc(C(=O)C(=[N+]=[N-])S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MAPT P10636 4/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
TP53 P04637 2/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
PKM P14618 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 3/20 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
SCHEMBL9010795 0.90 CES2 (0.48) ALDH1A1MAPTLMNAKMT2AHPGD
SCHEMBL9010827 0.88 ALDH1A1 (0.57) ALDH1A1MAPTKMT2AGAATDP1
SCHEMBL7722385 0.87 LMNA (0.51) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL7697548 0.87 MMP2 (0.39) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9010847 0.85 CES2 (0.52) ALDH1A1TP53LMNAKMT2AHPGD
SCHEMBL7697516 0.85 MMP2 (0.42) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL7724582 0.84 ELANE (0.47) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL7722368 0.84 KMT2A (0.49) ALDH1A1MAPTCYP1A2CYP3A4CYP2C9
SCHEMBL6932211 0.83 CES2 (0.56) ALDH1A1MAPTTP53LMNAKMT2A
SCHEMBL9010901 0.83 KMT2A (0.51) ALDH1A1MAPTCYP1A2CYP2C9LMNA

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