SCHEMBL22890855

SCHEMBL22890855

Cc1c(Cl)nc(Cl)c(C#N)c1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.39
▸ L3MBTL1 Q9Y468 5/20 0.38
▸ HTT P42858 6/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ GLA P06280 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TDP1 Q9NUW8 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL27170662 0.79 L3MBTL1 (0.36) ALDH1A1KDM4EL3MBTL1HTTKMT2A
SCHEMBL29493825 0.79 L3MBTL1 (0.36) ALDH1A1KDM4EL3MBTL1HTTKMT2A
SCHEMBL11822208 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EL3MBTL1HTTKMT2A
SCHEMBL31184166 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EL3MBTL1HTTKMT2A
SCHEMBL13329219 0.75 ALDH1A1 (0.72) ALDH1A1KDM4EL3MBTL1HTTKMT2A
SCHEMBL22889897 0.74 ALDH1A1 (0.34) ALDH1A1KDM4EKMT2ACYP1A2CYP2C9
SCHEMBL25613932 0.73 AR (0.42) ALDH1A1KDM4EHTTGLAGAA
SCHEMBL22889894 0.73 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1HTTKMT2A
SCHEMBL14825309 0.73 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1HTTKMT2A
SCHEMBL19024184 0.73 L3MBTL1 (0.37) ALDH1A1KDM4EL3MBTL1HTTGLA

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
WO-2021007477-A1 INDAZOLES AND AZAINDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2021-01-14 — — WO disclosed
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