SCHEMBL8761237

SCHEMBL8761237

NC(=O)c1cccc(C(=O)OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.69
KMT2A Q03164 2/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A3 Q01959 1/20 0.69
RAB9A P51151 5/20 0.60
NPC1 O15118 4/20 0.60
LMNA P02545 4/20 0.58
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 2/20 0.55
HTT P42858 1/20 0.52
PARP10 Q53GL7 1/20 0.51
HPGD P15428 1/20 0.51
JMJD6 Q6NYC1 1/20 0.49
PRKCZ Q05513 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PARP1 P09874 1/20 0.49

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
SCHEMBL312910 0.92 TDP1 (0.81) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL6530665 0.89 RAB9A (0.56) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL27395893 0.87 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL181934 0.87 TDP1 (0.73) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL28152411 0.86 TDP1 (0.67) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL4852019 0.85 KMT2A (0.76) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL6282770 0.84 KMT2A (0.81) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL10917971 0.84 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL6163969 0.84 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A
SCHEMBL11985700 0.84 TDP1 (0.69) TDP1KMT2ASLC6A2SLC6A3RAB9A

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-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
WO-2020247701-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-10 WO disclosed
EP-0562824-B1 Thermal recording material FUJI PHOTO FILM CO LTD (JP) 1997-06-11 EP disclosed
US-5464804-A Heat sensitive color layer with electron donor, colorless dye is black color aminofluoran, amino compound and isocyanate compound FUJI PHOTO FILM CO., LTD. (JP) 1995-11-07 US disclosed
US-5288688-A Comprising electron-donating colorless dye, isocyanate and amino compounds; antifogging, discoloration inhibition, storage stability FUJI PHOTO FILM CO., LTD. (JP) 1994-02-22 US disclosed
EP-0562824-A2 Thermal recording material FUJI PHOTO FILM CO., LTD. (JP) 1993-09-29 EP disclosed