SCHEMBL20198123

SCHEMBL20198123

Cc1cccc(-c2ccc(CN3CCN(C=O)CC3)c(F)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ JAK2 O60674 2/20 0.39
▸ JAK1 P23458 2/20 0.39
▸ TYK2 P29597 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TGFBR1 P36897 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ MOK Q9UQ07 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ PHGDH O43175 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ TBK1 Q9UHD2 1/20 0.37
▸ HSD11B1 P28845 1/20 0.36
▸ PDE2A O00408 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
SCHEMBL22365063 0.89 FAAH (0.44) ALDH1A1KMT2AGAAMAPK1JAK2
SCHEMBL20198110 0.86 CHKA (0.42) JAK2JAK1TYK2JAK3NPC1
SCHEMBL15263968 0.83 ALDH1A1 (0.47) ALDH1A1KMT2AGAAMAPK1JAK2
SCHEMBL15093704 0.83 LMNA (0.43) JAK2JAK1TYK2JAK3TGFBR1
SCHEMBL15266376 0.82 TGFBR1 (0.39) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL15093900 0.79 ALDH1A1 (0.48) ALDH1A1JAK2JAK1TYK2JAK3
SCHEMBL15263832 0.76 ALDH1A1 (0.46) ALDH1A1KMT2AGAAJAK2JAK1
SCHEMBL15100956 0.76 MGLL (0.57) —
SCHEMBL18623644 0.75 MGLL (0.47) ALDH1A1KDM4EPOLB
SCHEMBL21868503 0.75 ALDH1A1 (0.41) ALDH1A1KMT2AGAAMAPK1JAK2

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
EP-3698782-A1 CARBAMATE COMPOUNDS FOR USE IN THERAPY Lundbeck La Jolla Research Center, Inc. (US) 2020-08-26 — — EP disclosed
EP-3326627-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-05-30 — — EP disclosed
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