SCHEMBL30825404

SCHEMBL30825404

O=C(O)c1c(-c2ccccc2)cc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TXNRD1 Q16881 1/20 0.46
▸ TXNRD3 Q86VQ6 1/20 0.46
▸ TXNRD2 Q9NNW7 1/20 0.46
▸ AKR1B1 P15121 2/20 0.46
▸ AKR1C4 P17516 2/20 0.46
▸ AKR1C3 P42330 2/20 0.46
▸ AKR1C2 P52895 2/20 0.46
▸ AKR1C1 Q04828 2/20 0.46
▸ P2RX1 P51575 1/20 0.46
▸ EIF4E P06730 3/20 0.43

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
SCHEMBL29192951 1.00 LMNA (0.54) LMNAMAPTHTTALDH1A1TDP1
SCHEMBL29193120 0.79 ALDH1A1 (0.43) LMNAMAPTHTTALDH1A1TDP1
SCHEMBL29193157 0.78 AKR1C3 (0.49) MAPTALDH1A1TDP1AKR1C3AKR1C2
SCHEMBL19585480 0.78 MAPT (0.57) LMNAMAPTHTTALDH1A1TDP1
SCHEMBL2963618 0.78 ALDH1A1 (0.56) LMNAMAPTHTTALDH1A1TDP1
SCHEMBL28892095 0.77 ALDH1A1 (0.50) MAPTALDH1A1TDP1CYP3A4HIF1A
SCHEMBL8654849 0.74 TDP1 (0.65) ALDH1A1TDP1CYP3A4TSHRPOLB
SCHEMBL10058719 0.74 RXRA (0.51) ALDH1A1HPGDAKR1C3AKR1C2PTGDR2
SCHEMBL27739400 0.73 KIF11 (0.53) LMNAMAPTHTTALDH1A1TDP1
SCHEMBL6781590 0.72 PTGDR2 (0.52) LMNAMAPTALDH1A1TDP1POLB

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-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
Send feedback