SCHEMBL28685646

SCHEMBL28685646

CC1=NN(c2ccc(OC(F)F)cc2)C(=O)C1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ MEN1 O00255 7/20 0.50
▸ KMT2A Q03164 7/20 0.50
▸ ACSS2 Q9NR19 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HTT P42858 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ PKM P14618 1/20 0.41
▸ TDP2 O95551 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL29409974 0.91 MAPT (0.55) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28700332 0.88 MAPT (0.58) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL29409982 0.87 MAPT (0.52) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL29995790 0.87 MAPT (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL29996520 0.87 MAPT (0.57) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28700328 0.87 MAPT (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28692671 0.87 MAPT (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL29433459 0.87 MAPT (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28708862 0.86 MAPT (0.56) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL28702468 0.85 MAPT (0.55) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983386-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-04-20 — — EP disclosed
EP-3969439-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF Metabomed Ltd (IL) 2022-03-23 — — EP disclosed
CN-114127049-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-03-01 — — CN disclosed
CN-114008025-A ACSS2 inhibitors and methods of use thereof 美特波米德有限公司 2022-02-01 — — CN disclosed
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