SCHEMBL9480503

SCHEMBL9480503

COC(=O)c1cc2cc(I)c(C(=O)OC)cc2cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.45
CA12 O43570 3/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 3/20 0.42
CA9 Q16790 3/20 0.42
CA14 Q9ULX7 3/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NQO2 P16083 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.40
ATM Q13315 2/20 0.40

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
SCHEMBL28695553 0.89 KDM4E (0.50) CFTRCA1CA2CA9KDM4E
SCHEMBL14666358 0.89 CFTR (0.53) CFTRCA12CA1CA2CA7
SCHEMBL4980293 0.88 KDM4E (0.53) CFTRCA1CA2CA9KDM4E
SCHEMBL8383099 0.86 PTPN11 (0.51) CA12CA1CA2CA7CA9
SCHEMBL9618201 0.84 CA12 (0.50) CFTRCA12CA1CA2CA7
SCHEMBL28694398 0.81 CA12 (0.48) CFTRCA12CA1CA2CA7
SCHEMBL15903170 0.79 CFTR (0.53) CFTRCA12CA1CA2CA7
SCHEMBL25455691 0.79 CFTR (0.46) CFTRCA12CA1CA2CA7
SCHEMBL23364330 0.79 KDM4E (0.61) KDM4EALDH1A1HPGDTSHRGAA
SCHEMBL28922445 0.78 CFTR (0.66) CFTRCA12CA1CA2CA7

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
US-5216118-A Preparation of aromatic polyimides from CO, primary diamine and bis (halo aromatic carboxylic acid ester) EASTMAN KODAK COMPANY (US) 1993-06-01 US disclosed