SCHEMBL9524378

SCHEMBL9524378

CCCC(=O)N(N)c1c(Cl)cccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
HTT P42858 3/20 0.39
F2R P25116 3/20 0.38
RORC P51449 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ESR1 P03372 2/20 0.36
NR1I2 O75469 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AKR1B1 P15121 1/20 0.35

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
SCHEMBL9524419 0.86 HTT (0.39) TP53HTTRORCALDH1A1SMN1; SMN2
SCHEMBL7853959 0.81 TP53 (0.42) TP53F2RRORCALDH1A1ESR1
SCHEMBL10441682 0.76 ALDH1A1 (0.40) HTTALDH1A1NPSR1AKR1B1
SCHEMBL6131273 0.73 TP53 (0.62) TP53HTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL28606757 0.72 ESR1 (0.47) ALDH1A1ESR1NPSR1
SCHEMBL28610868 0.71 PARP10 (0.50) TP53HTTALDH1A1SMN1; SMN2NPSR1
SCHEMBL10710269 0.71 TP53 (0.66) TP53HTTALDH1A1NR1I2NPSR1
SCHEMBL3138343 0.70 SIGMAR1 (0.45) TP53HTTALDH1A1NPSR1
SCHEMBL22671301 0.69 TP53 (0.45) TP53ALDH1A1SMN1; SMN2
SCHEMBL19494060 0.68 FEN1 (0.53) HTTF2RALDH1A1SMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396769-B1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1993-03-10 EP disclosed
US-5093480-A Fungicides KOWA COMPANY, LTD. (JP) 1992-03-03 US disclosed
EP-0396769-A1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1990-11-14 EP disclosed