SCHEMBL7722368

SCHEMBL7722368

CCC(=O)Oc1ccc(S(=O)(=O)C(=[N+]=[N-])C(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
ESR1 P03372 2/20 0.46
HIF1A Q16665 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 1/20 0.46
ELANE P08246 1/20 0.43
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 3/20 0.37
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL7721805 0.89 ELANE (0.53) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL7717485 0.87 KMT2A (0.43) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL7721776 0.87 KMT2A (0.43) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL7722379 0.87 KMT2A (0.43) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL7722385 0.86 LMNA (0.51) KMT2AELANEMAPTALDH1A1CYP1A2
SCHEMBL9010795 0.84 CES2 (0.48) KMT2ARECQLMAPTALDH1A1LMNA
SCHEMBL7697516 0.84 MMP2 (0.42) KMT2AMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL7724562 0.84 KMT2A (0.51) KMT2AESR1HIF1ASMN1; SMN2RECQL
SCHEMBL9010786 0.84 ALDH1A1 (0.52) KMT2ASMN1; SMN2MAPTALDH1A1CYP1A2
SCHEMBL7724582 0.83 ELANE (0.47) KMT2AELANEMAPTALDH1A1CYP1A2

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
US-6395446-B1 CONTAINING SULFONYLDIAZOMETHANE COMPOUND AS ACID GENERATOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-05-28 US disclosed