SCHEMBL11749092

SCHEMBL11749092

CN(C)C(=O)n1nc2ccccc2c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ BCHE P06276 4/20 0.39
▸ ACHE P22303 2/20 0.39
▸ LIPE Q05469 2/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ DAGLA Q9Y4D2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NUDT1 P36639 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ LCK P06239 1/20 0.35

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
SCHEMBL11752400 0.80 LMNA (0.41) ALDH1A1KMT2AKDM4ETSHRACHE
SCHEMBL11749925 0.79 LMNA (0.42) ALDH1A1KMT2AKDM4EBCHEACHE
SCHEMBL11752876 0.75 TSHR (0.47) ALDH1A1KMT2AKDM4ETSHRHSD17B10
SCHEMBL11750784 0.73 BCHE (0.37) ALDH1A1KMT2ABCHEACHELIPE
SCHEMBL11751025 0.70 ALDH1A1 (0.50) ALDH1A1KMT2ABCHEACHELIPE
SCHEMBL2914480 0.69 MAPT (0.46) ALDH1A1KMT2AKDM4ETSHRACHE
SCHEMBL425007 0.67 KMT2A (0.61) ALDH1A1KMT2AKDM4ETSHRHSD17B10
SCHEMBL3584987 0.65 SMN1; SMN2 (0.61) ALDH1A1KMT2AKDM4ETSHRLMNA
SCHEMBL127188 0.65 ELANE (0.43) ALDH1A1KMT2AKDM4ETSHRHSD17B10
SCHEMBL28453399 0.64 LMNA (0.42) ALDH1A1KMT2AKDM4ETSHRACHE

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-4051252-A ANALGESIC, ANTIINFLAMMATORY, ANTIPYRETIC BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
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