SCHEMBL11832379

SCHEMBL11832379

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RAB9A P51151 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ HPGD P15428 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ NPC1 O15118 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NOD2 Q9HC29 1/20 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
SCHEMBL11825126 0.92 TSHR (0.47) ALDH1A1TSHRRAB9AKDM4EPOLB
SCHEMBL11832292 0.92 ALDH1A1 (0.55) ALDH1A1TSHRRAB9AKDM4EPOLB
SCHEMBL11835659 0.92 TSHR (0.49) ALDH1A1TSHRRAB9AKDM4EPOLB
SCHEMBL11825914 0.91 RAB9A (0.47) ALDH1A1TSHRRAB9AKDM4EPOLB
SCHEMBL11831440 0.91 ALDH1A1 (0.49) ALDH1A1TSHRRAB9AKDM4EPOLB
SCHEMBL11841654 0.90 ALDH1A1 (0.46) ALDH1A1TSHRRAB9AKDM4EPOLB
SCHEMBL11830739 0.90 ALDH1A1 (0.46) ALDH1A1TSHRRAB9AKDM4EPOLB
SCHEMBL11842424 0.90 ALDH1A1 (0.46) ALDH1A1TSHRRAB9AKDM4EPOLB
SCHEMBL11840023 0.90 ALDH1A1 (0.46) ALDH1A1TSHRRAB9AKDM4EPOLB
SCHEMBL11840780 0.89 TSHR (0.45) ALDH1A1TSHRRAB9AKDM4EPOLB

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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