SCHEMBL29417952

SCHEMBL29417952

O=[N+]([O-])c1ccccc1CF

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.64
▸ TSHR P16473 1/20 0.64
▸ HPGD P15428 1/20 0.58
▸ ALDH3A1 P30838 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ ACHE P22303 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL3710784 1.00 ALDH1A1 (0.64) ALDH1A1TSHRHPGDALDH3A1HTT
SCHEMBL3202573 0.84 ALDH1A1 (0.72) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL301933 0.82 ALDH1A1 (0.69) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL11270639 0.80 ALDH1A1 (0.47) ALDH1A1TSHRHPGDALDH3A1HTT
SCHEMBL29437308 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
Ammonia Solution, Strong SCHEMBL10338964 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL124981 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL1150551 0.80 ALDH1A1 (0.67) ALDH1A1TSHRHPGDHTTHSD17B10
SCHEMBL13767679 0.78 ALDH1A1 (0.64) ALDH1A1TSHRHPGDALDH3A1HTT
SCHEMBL249952 0.78 ALDH1A1 (0.64) ALDH1A1TSHRHPGDHTTHSD17B10

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
CN-114105722-B Method for preparing organic fluorine compound 浙江工业大学 2023-10-20 — — CN disclosed
CN-114105722-A Method for preparing organic fluorine compound 浙江工业大学 2022-03-01 — — CN disclosed
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