SCHEMBL21765940

SCHEMBL21765940

CC(C)(C)OC(=O)N1CC(F)CC1C(=O)ON1C(=O)c2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.38
▸ HTRA1 Q92743 1/20 0.37
▸ UCHL1 P09936 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ NAMPT P43490 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NR1H2 P55055 2/20 0.34
▸ RORC P51449 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ NR1H3 Q13133 1/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ F13A1 P00488 1/20 0.33
▸ TGM2 P21980 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
SCHEMBL21637229 1.00 HSD11B1 (0.38) HSD11B1HTRA1UCHL1CYP1A2POLB
SCHEMBL31510934 0.88 CYP1A2 (0.39) HSD11B1HTRA1UCHL1CYP1A2POLB
SCHEMBL5963539 0.82 HSD11B1 (0.36) HSD11B1HTRA1UCHL1CYP1A2POLB
SCHEMBL22715472 0.81 EPHX2 (0.43) UCHL1MEN1KMT2ANR1H2NR1H3
SCHEMBL31569184 0.81 PTPN1 (0.47) UCHL1NAMPTMEN1KMT2APTPN1
SCHEMBL26985052 0.81 PTPN1 (0.39) UCHL1NAMPTMEN1KMT2ARORC
SCHEMBL23975412 0.80 UCHL1 (0.44) UCHL1POLBUSP30MEN1KMT2A
SCHEMBL30954452 0.80 UCHL1 (0.39) UCHL1POLBMEN1KMT2ANR1H2
SCHEMBL31510905 0.80 EPHX2 (0.51) HSD11B1UCHL1POLBUSP30MEN1
SCHEMBL30537463 0.80 EPHX2 (0.51) HSD11B1UCHL1POLBUSP30MEN1

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-2020039209-A1 IMIDAZO[1,2-B]PYRIDAZINES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-02-27 — — WO disclosed
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