SCHEMBL28608583

SCHEMBL28608583

O=C(CNc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.55
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
AKR1B1 P15121 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GAA P10253 2/20 0.45
FFAR1 O14842 2/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ERCC1 P07992 2/20 0.44
ERCC4 Q92889 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 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
SCHEMBL28297938 0.88 KMT2A (0.49) MEN1KMT2AGAAFFAR1MAPT
Phenylacetic Acid SCHEMBL28981718 0.82 AKR1B1 (0.65) EPHX2CES2CES1AKR1B1MEN1
SCHEMBL5150815 0.79 HDAC8 (0.57) EPHX2CES2CES1AKR1B1MEN1
SCHEMBL27791662 0.79 ERCC1 (0.46) EPHX2MEN1KMT2AGAAFFAR1
SCHEMBL51367 0.78 CES1 (0.64) EPHX2CES2CES1AKR1B1MEN1
SCHEMBL77563 0.78 CES1 (0.70) EPHX2CES2CES1AKR1B1MEN1
SCHEMBL16488475 0.78 CES1 (0.52) EPHX2CES2CES1AKR1B1MEN1
SCHEMBL5880689 0.78 CES1 (0.52) EPHX2CES2CES1AKR1B1MEN1
SCHEMBL4582402 0.78 CES1 (0.52) EPHX2CES2CES1AKR1B1MEN1
SCHEMBL6904425 0.78 ALDH1A1 (0.46) EPHX2MEN1KMT2AHDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113151836-B Corrosion inhibitor suitable for hot-rolled pickled steel, preparation method and application 武汉钢铁有限公司 2022-12-23 CN claimed
CN-113549921-B Corrosion inhibitor for preventing blackening of surface of hot-rolled pickled steel and preparation method thereof 武汉钢铁有限公司 2022-11-29 CN claimed
CN-113549921-A Corrosion inhibitor for preventing surface of hot-rolled pickled steel from blackening and preparation method thereof 武汉钢铁有限公司 2021-10-26 CN claimed
CN-113151836-A Corrosion inhibitor suitable for hot-rolled pickled steel, preparation method and application 武汉钢铁有限公司 2021-07-23 CN claimed
CN-113151836-B Corrosion inhibitor suitable for hot-rolled pickled steel, preparation method and application 武汉钢铁有限公司 2022-12-23 CN disclosed
CN-113151836-B Corrosion inhibitor suitable for hot-rolled pickled steel, preparation method and application 武汉钢铁有限公司 2022-12-23 CN disclosed
CN-113549921-B Corrosion inhibitor for preventing blackening of surface of hot-rolled pickled steel and preparation method thereof 武汉钢铁有限公司 2022-11-29 CN disclosed
CN-113549921-B Corrosion inhibitor for preventing blackening of surface of hot-rolled pickled steel and preparation method thereof 武汉钢铁有限公司 2022-11-29 CN disclosed
CN-113549921-A Corrosion inhibitor for preventing surface of hot-rolled pickled steel from blackening and preparation method thereof 武汉钢铁有限公司 2021-10-26 CN disclosed
CN-113549921-A Corrosion inhibitor for preventing surface of hot-rolled pickled steel from blackening and preparation method thereof 武汉钢铁有限公司 2021-10-26 CN disclosed
CN-113151836-A Corrosion inhibitor suitable for hot-rolled pickled steel, preparation method and application 武汉钢铁有限公司 2021-07-23 CN disclosed
CN-113151836-A Corrosion inhibitor suitable for hot-rolled pickled steel, preparation method and application 武汉钢铁有限公司 2021-07-23 CN disclosed