SCHEMBL27809607

SCHEMBL27809607

O=C(CI)Oc1ccccc1.[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.50
ELANE P08246 1/20 0.46
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ALOX15 P16050 2/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NSD2 O96028 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 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
SCHEMBL1762271 0.98 CYP19A1 (0.52) CYP19A1ELANEATML3MBTL1TDP1
Acetic Acid SCHEMBL2217916 0.92 ELANE (0.47) CYP19A1ELANEATML3MBTL1TDP1
SCHEMBL6727690 0.82 CYP19A1 (0.53) CYP19A1ELANEATML3MBTL1TDP1
SCHEMBL153387 0.79 CYP19A1 (0.55) CYP19A1ELANEATML3MBTL1TDP1
SCHEMBL43742 0.79 KMT2A (0.61) CYP19A1ELANEATML3MBTL1TDP1
SCHEMBL6691150 0.79 HSD17B10 (0.52) ELANEHSD17B10KMT2AHTT
SCHEMBL15064174 0.78 PRSS1 (0.51) CYP19A1ELANEATML3MBTL1TDP1
SCHEMBL28108373 0.78 CYP19A1 (0.50) CYP19A1ELANEATML3MBTL1TDP1
SCHEMBL17028724 0.78 ELANE (0.70) CYP19A1ELANEATML3MBTL1TDP1
SCHEMBL6693659 0.77 AKR1C3 (0.56) KMT2A

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
CN-101805356-A Preparation methods of sulbenicillin sodium and injection thereof HUNAN XIANGYAO PHARMACEUTICAL CO LTD 2010-08-18 CN disclosed