SCHEMBL8076558

SCHEMBL8076558

Cc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
MAPT P10636 2/20 0.69
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
POLB P06746 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAPK1 P28482 1/20 0.63
FFAR1 O14842 1/20 0.61
LIMK2 P53671 1/20 0.60
PKM P14618 1/20 0.60
NPSR1 Q6W5P4 1/20 0.59
HDAC4 P56524 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HPGD P15428 1/20 0.58

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
SCHEMBL9326251 0.92 ALDH1A1 (0.85) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL8249490 0.87 HDAC1 (0.76) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL8074277 0.85 ALDH1A1 (0.74) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL3556553 0.84 ALDH1A1 (0.73) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL31681239 0.84 ALDH1A1 (0.72) ALDH1A1MAPTKMT2APOLBTDP1
SCHEMBL8868125 0.84 ALDH1A1 (0.72) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL8868120 0.82 ALDH1A1 (0.69) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL8066353 0.81 ALDH1A1 (0.68) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL5655423 0.81 ALDH1A1 (0.66) ALDH1A1MAPTKMT2AMEN1POLB
SCHEMBL9325231 0.81 ALDH1A1 (0.68) ALDH1A1MAPTKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0330050-B1 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2000-08-23 EP disclosed
US-6002007-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 1999-12-14 US disclosed
US-5879953-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed
US-5783696-A Special chemiluminescent acridine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0330050-A2 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-30 EP disclosed