SCHEMBL24664166

SCHEMBL24664166

N#Cc1cccc(Oc2ccc(C(F)(F)F)cn2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.62
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAP4K4 O95819 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 3/20 0.47
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KCNH2 Q12809 1/20 0.45
LMNA P02545 1/20 0.45
FAAH O00519 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.44
LIPE Q05469 1/20 0.43
TDP1 Q9NUW8 1/20 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
SCHEMBL30731743 1.00 MAPK1 (0.62) MAPK1THRBL3MBTL1ALDH1A1POLB
SCHEMBL6982061 0.83 MAPT (0.57) MAPK1THRBTSHRSMN1; SMN2KMT2A
SCHEMBL24401108 0.80 KMT2A (0.50) MAPK1THRBL3MBTL1POLBTSHR
SCHEMBL10500983 0.79 MAPK1 (0.67) MAPK1THRBL3MBTL1ALDH1A1POLB
SCHEMBL20381754 0.79 MAPK1 (0.71) MAPK1THRBL3MBTL1ALDH1A1POLB
SCHEMBL5651111 0.79 MAPK1 (0.67) MAPK1THRBL3MBTL1ALDH1A1POLB
SCHEMBL1011398 0.79 THRB (0.72) MAPK1THRBL3MBTL1ALDH1A1POLB
SCHEMBL3287232 0.79 MAP4K4 (0.50) ALDH1A1MAP4K4KMT2AHRH3KCNH2
SCHEMBL30334879 0.79 MAPK1 (0.67) MAPK1THRBL3MBTL1ALDH1A1POLB
SCHEMBL29123563 0.79 MAP4K4 (0.53) MAPK1ALDH1A1MAP4K4KMT2AHRH3

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-117015537-A Heteroaryl aminopropanol derivatives as inhibitors of LTA4H 诺华股份有限公司 2023-11-07 CN disclosed
WO-2022219546-A1 HETEROARYL AMINOPROPANOL DERIVATIVES AS INHIBITORS OF LTA4H NOVARTIS AG (CH) 2022-10-20 WO disclosed