SCHEMBL9328064

SCHEMBL9328064

CCOC(=O)Cc1nn(CC2Nc3cc(C(F)(F)F)ccc3S2)c(=O)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.50
▸ SLC6A4 P31645 4/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ AKR1B1 P15121 9/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ CNKSR1 Q969H4 1/20 0.44
▸ AKR1B10 O60218 1/20 0.42
▸ AKR1A1 P14550 1/20 0.42
▸ GLO1 Q04760 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL9327440 0.85 SMN1; SMN2 (0.48) RECQLALDH1A1SLC6A4HTR2AHTR2C
SCHEMBL9277880 0.76 ALDH1A1 (0.62) RECQLALDH1A1SLC6A4HTR2AHTR2C
SCHEMBL8201334 0.73 AKR1B1 (0.78) AKR1B1AKR1B10AKR1A1GLO1
SCHEMBL9198976 0.73 AKR1B1 (0.78) RECQLALDH1A1SLC6A4HTR2AHTR2C
SCHEMBL9199872 0.72 AKR1B1 (0.79) RECQLALDH1A1SLC6A4HTR2AHTR2C
SCHEMBL9201748 0.72 SLC6A4 (0.65) RECQLALDH1A1SLC6A4HTR2AHTR2C
SCHEMBL5014224 0.71 RECQL (0.83) RECQLALDH1A1SLC6A4HTR2AHTR2C
SCHEMBL9197789 0.70 RECQL (0.81) RECQLALDH1A1SLC6A4SMN1; SMN2AKR1B1
SCHEMBL5009469 0.70 RECQL (0.81) RECQLALDH1A1SLC6A4HTR2AHTR2C
SCHEMBL9374155 0.69 RECQL (0.76) RECQLALDH1A1SLC6A4HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5304557-A Aldose reductase inhibitor PFIZER INC. (US) 1994-04-19 — — US disclosed
EP-0436307-A1 Substituted oxophthalazinyl acetic acids and analogs thereof PFIZER INC. (US) 1991-07-10 — — EP disclosed
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