SCHEMBL11840780

SCHEMBL11840780

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 2/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ GLA P06280 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ CNR2 P34972 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPC1 O15118 3/20 0.39

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
SCHEMBL11825914 0.92 RAB9A (0.47) TSHRALDH1A1POLBKDM4EGLA
SCHEMBL11825126 0.91 TSHR (0.47) TSHRALDH1A1POLBKDM4EGLA
SCHEMBL11835659 0.91 TSHR (0.49) TSHRALDH1A1POLBKDM4EGLA
SCHEMBL11831440 0.90 ALDH1A1 (0.49) TSHRALDH1A1POLBKDM4EGLA
SCHEMBL11839459 0.90 ALDH1A1 (0.51) TSHRALDH1A1POLBKDM4EOPRK1
SCHEMBL11841976 0.89 ALDH1A1 (0.43) TSHRALDH1A1POLBKDM4EGLA
SCHEMBL11834510 0.89 LMNA (0.46) TSHRALDH1A1POLBKDM4EGLA
SCHEMBL11842424 0.89 ALDH1A1 (0.46) TSHRALDH1A1POLBKDM4EGLA
SCHEMBL11841654 0.89 ALDH1A1 (0.46) TSHRALDH1A1POLBKDM4EGLA
SCHEMBL11840023 0.89 ALDH1A1 (0.46) TSHRALDH1A1POLBKDM4EGLA

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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