SCHEMBL7601089

SCHEMBL7601089

C=Cc1ccccc1C(=O)Nc1ccccc1Oc1ccc(S(=O)(=O)c2ccc(Oc3ccccc3NC(=O)c3ccccc3C=C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 1/20 0.48
PYGL P06737 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
MMP9 P14780 2/20 0.42
MMP8 P22894 2/20 0.42
MMP12 P39900 2/20 0.42
MMP13 P45452 2/20 0.42
MMP14 P50281 2/20 0.42
MMP16 P51512 2/20 0.42
ATM Q13315 1/20 0.42
SLC16A1 P53985 1/20 0.41

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
SCHEMBL7601098 0.88 TDP1 (0.48) TDP1L3MBTL1RAB9APYGLKMT2A
SCHEMBL7599610 0.81 CYP1A2 (0.46) RAB9APYGLMAPTALDH1A1SMN1; SMN2
SCHEMBL7602849 0.81 CNR1 (0.50) TDP1L3MBTL1KMT2AMEN1MAPT
SCHEMBL7598284 0.81 GAA (0.50) TDP1L3MBTL1KMT2AMEN1MAPT
SCHEMBL7603048 0.81 CYP1A2 (0.53) RAB9APYGLMAPTALDH1A1LMNA
SCHEMBL7599792 0.81 SMN1; SMN2 (0.45) TDP1L3MBTL1RAB9APYGLKMT2A
SCHEMBL7598422 0.80 ALDH1A1 (0.48) RAB9AKMT2AMEN1MAPTALDH1A1
SCHEMBL7603821 0.79 MAPT (0.53) TDP1L3MBTL1PYGLKMT2AMEN1
SCHEMBL7598919 0.79 PRMT1 (0.56) TDP1KMT2AMEN1MAPTALDH1A1
SCHEMBL7602893 0.76 L3MBTL1 (0.44) L3MBTL1KMT2AMEN1MAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0913713-B1 Crosslinkable compound and an optical material employing it MENICON CO LTD (JP) 2002-12-18 EP disclosed
US-6015874-A CURING AGENT FOR HYDROPHILIC, TRANSPARENT, DURABLE POLYMERIC CONTACT OR INTRAOCULAR LENSES WHICH ALSO ABSORB ULTRA VIOLET RADIATION AND ARE OXYGEN PERMEABLE MENICON CO., LTD. (JP) 2000-01-18 US disclosed
EP-0913713-A2 Crosslinkable compound and an optical material employing it Menicon Co., Ltd. (JP) 1999-05-06 EP disclosed