SCHEMBL11834510

SCHEMBL11834510

CCOC(=O)Nc1nc2ccccc2n1C(=N)Oc1ccc(NC(C)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ POLB P06746 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ MEN1 O00255 3/20 0.41

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) LMNASMN1; SMN2POLBALDH1A1TSHR
SCHEMBL11839982 0.90 ALDH1A1 (0.50) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL11835659 0.90 TSHR (0.49) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL11840780 0.89 TSHR (0.45) MAPTSMN1; SMN2POLBALDH1A1TSHR
SCHEMBL11831440 0.89 ALDH1A1 (0.49) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL11841654 0.88 ALDH1A1 (0.46) MAPTSMN1; SMN2POLBALDH1A1TSHR
SCHEMBL11842424 0.88 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL11840023 0.88 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2POLBALDH1A1
SCHEMBL11830739 0.88 ALDH1A1 (0.46) LMNASMN1; SMN2POLBALDH1A1TSHR
SCHEMBL11832379 0.88 ALDH1A1 (0.46) LMNAMAPTSMN1; SMN2POLBALDH1A1

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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