SCHEMBL28087611

SCHEMBL28087611

O=Cc1ccc([N+](=O)[O-])c(OC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH5A1 P51649 1/20 0.49
▸ ABAT P80404 1/20 0.49
▸ VCAM1 P19320 1/20 0.49
▸ ALDH1A1 P00352 9/20 0.47
▸ MAPT P10636 6/20 0.47
▸ HPGD P15428 4/20 0.47
▸ LMNA P02545 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ TTR P02766 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH3A1 P30838 2/20 0.42
▸ ALDH1A3 P47895 1/20 0.42
▸ APP P05067 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 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
SCHEMBL6435776 0.88 ALDH5A1 (0.53) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL16950538 0.86 APP (0.40) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL16952667 0.86 APP (0.43) ALDH5A1ABATALDH1A1MAPTHPGD
SCHEMBL7626416 0.81 ALDH5A1 (0.47) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL30135443 0.79 TDP1 (0.55) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL1159451 0.79 ALDH1A1 (0.64) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL30268627 0.79 ALDH1A1 (0.64) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL973890 0.79 TDP1 (0.55) ALDH1A1MAPTHTTSMN1; SMN2MEN1
SCHEMBL2207272 0.78 TDP1 (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL16956608 0.78 TSHR (0.55) ALDH1A1MAPTLMNASMN1; SMN2MEN1

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
CN-106170486-A Novel indazolecarboxamides, method for the production thereof, pharmaceutical preparations containing the same and use thereof for producing medicaments 拜耳医药股份有限公司 2016-11-30 — — CN disclosed
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