SCHEMBL28435740

SCHEMBL28435740

O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
CYP2C9 P11712 3/20 1.00
F3 P13726 3/20 1.00
CYP1A2 P05177 3/20 1.00
PLIN1 O60240 2/20 1.00
LMNA P02545 2/20 1.00
RECQL P46063 2/20 1.00
PLIN5 Q00G26 2/20 1.00
ABHD5 Q8WTS1 2/20 1.00
CYP2D6 P10635 2/20 1.00
ALDH1A1 P00352 2/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
HDAC3 O15379 2/20 0.73
HDAC4 P56524 2/20 0.73
HDAC1 Q13547 2/20 0.73
HDAC2 Q92769 2/20 0.73
HDAC8 Q9BY41 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
TNKS O95271 1/20 0.73
HCAR2 Q8TDS4 1/20 0.73

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
SCHEMBL20856054 1.00 MAPT (1.00) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL20518814 1.00 MAPT (1.00) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL478244 1.00 MAPT (1.00) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL22146 1.00 MAPT (1.00) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL20846 1.00 MAPT (1.00) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL28181 1.00 MAPT (1.00) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL5347650 1.00 MAPT (1.00) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL187662 0.97 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL21879664 0.97 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1
SCHEMBL7265797 0.97 MAPT (0.95) MAPTCYP2C9F3CYP1A2PLIN1

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-111356456-A 2-arylsulfonamido-iV-arylacetamide derived Stat3 inhibitor 夏威夷大学 2020-06-30 CN disclosed