SCHEMBL28870076

SCHEMBL28870076

Cc1ccc(NCc2ccccc2F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
LMNA P02545 3/20 0.70
HTT P42858 2/20 0.70
TDP1 Q9NUW8 1/20 0.70
MEN1 O00255 3/20 0.69
KMT2A Q03164 3/20 0.69
L3MBTL1 Q9Y468 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
ATM Q13315 1/20 0.58
PLA2G1B P04054 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
ALDH1A1 P00352 2/20 0.57
HPGD P15428 1/20 0.57
GAA P10253 3/20 0.51
TP53 P04637 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL11513654 0.84 KMT2A (0.72) MAPTLMNAHTTTDP1MEN1
SCHEMBL19476126 0.84 TAAR1 (0.59) MAPTLMNAHTTTDP1MEN1
SCHEMBL28964180 0.83 MAPT (0.56) MAPTLMNAHTTTDP1MEN1
SCHEMBL2835536 0.81 MEN1 (0.69) MAPTLMNAHTTTDP1MEN1
SCHEMBL12682641 0.81 KMT2A (1.00) MAPTLMNAHTTTDP1MEN1
SCHEMBL11510867 0.81 MAPT (0.68) MAPTLMNAHTTTDP1MEN1
SCHEMBL28870154 0.79 MAPT (0.54) MAPTLMNAHTTTDP1MEN1
SCHEMBL5538986 0.78 KMT2A (0.64) MAPTLMNAHTTTDP1MEN1
SCHEMBL30301294 0.78 MAPT (1.00) MAPTHTTMEN1KMT2AL3MBTL1
SCHEMBL28964165 0.78 MAPT (0.64) MAPTLMNAHTTTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115243764-B Heterocyclic derivatives as TRMP antagonists 奇华顿股份有限公司 2025-01-03 CN disclosed
EP-4114523-A1 HETEROCYCLIC DERIVATIVES AS TRMP8 ANTAGONISTS Givaudan SA (CH) 2023-01-11 EP disclosed
CN-115243764-A Heterocyclic derivatives as TRMP8 antagonists 奇华顿股份有限公司 2022-10-25 CN disclosed