SCHEMBL11828256

SCHEMBL11828256

CCOC(=O)Nc1nc2ccccc2n1C(=N)Oc1ccc(SC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ PSMD14 O00487 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ RAB9A P51151 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ HPGD P15428 3/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL11825126 0.90 TSHR (0.47) TSHRALDH1A1POLBKDM4EGLA
SCHEMBL11832549 0.90 ALDH1A1 (0.50) TSHRALDH1A1MAPTPKMMAPK1
SCHEMBL11835659 0.90 TSHR (0.49) TSHRALDH1A1MAPTPKMMAPK1
SCHEMBL11831440 0.89 ALDH1A1 (0.49) TSHRALDH1A1MAPTPOLBKDM4E
SCHEMBL11841654 0.88 ALDH1A1 (0.46) TSHRALDH1A1MAPTPKMMAPK1
SCHEMBL11842424 0.88 ALDH1A1 (0.46) TSHRALDH1A1MAPTPKMMAPK1
SCHEMBL11832379 0.88 ALDH1A1 (0.46) TSHRALDH1A1MAPTPOLBKDM4E
SCHEMBL11840023 0.88 ALDH1A1 (0.46) TSHRALDH1A1MAPTPOLBKDM4E
SCHEMBL11830739 0.88 ALDH1A1 (0.46) TSHRALDH1A1POLBKDM4EGLA
SCHEMBL11825914 0.87 RAB9A (0.47) TSHRALDH1A1MAPTMAPK1POLB

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
US-3956307-A FUNGICIDES SCHERING AKTIENGESELLSCHAFT (DT) 1976-05-11 — — US disclosed
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