SCHEMBL9201748

SCHEMBL9201748

CCOC(=O)Cc1nn(CNC(=O)c2cccc(C(F)(F)F)c2)c(=O)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 16/20 0.65
▸ HTR2A P28223 10/20 0.65
▸ HTR2C P28335 9/20 0.65
▸ RECQL P46063 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ AKR1B1 P15121 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
SCHEMBL9325762 0.87 AKR1B1 (0.64) SLC6A4HTR2AHTR2CAKR1B1
SCHEMBL5009470 0.79 SLC6A4 (1.00) SLC6A4HTR2AHTR2C
SCHEMBL9277880 0.77 ALDH1A1 (0.62) SLC6A4HTR2AHTR2CRECQLALDH1A1
SCHEMBL9198976 0.75 AKR1B1 (0.78) SLC6A4HTR2AHTR2CRECQLALDH1A1
SCHEMBL5014224 0.74 RECQL (0.83) SLC6A4HTR2AHTR2CRECQLALDH1A1
SCHEMBL9199872 0.74 AKR1B1 (0.79) SLC6A4HTR2AHTR2CRECQLALDH1A1
SCHEMBL8201334 0.73 AKR1B1 (0.78) AKR1B1
SCHEMBL5009469 0.73 RECQL (0.81) SLC6A4HTR2AHTR2CRECQLALDH1A1
SCHEMBL9197789 0.73 RECQL (0.81) SLC6A4RECQLALDH1A1SMN1; SMN2AKR1B1
SCHEMBL9328064 0.72 RECQL (0.53) SLC6A4HTR2AHTR2CRECQLALDH1A1

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
EP-0436307-B1 Substituted oxophthalazinyl acetic acids and analogs thereof PFIZER (US) 1995-02-22 — — EP disclosed
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