SCHEMBL9633896

SCHEMBL9633896

NC(=O)CC(N)c1c2c(nc3ccccc13)CCCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.56
▸ KDM4E B2RXH2 6/20 0.56
▸ LMNA P02545 2/20 0.55
▸ POLB P06746 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ BCHE P06276 7/20 0.51
▸ ACHE P22303 7/20 0.51
▸ TSHR P16473 3/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CACNB4 O00305 1/20 0.51
▸ CACNA1A O00555 1/20 0.51
▸ SLC22A2 O15244 1/20 0.51
▸ SLC22A1 O15245 1/20 0.51
▸ ABCC4 O15439 1/20 0.51
▸ CACNA1G O43497 1/20 0.51
▸ CACNG3 O60359 1/20 0.51

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
SCHEMBL22470553 0.84 BCHE (0.50) ALDH1A1KDM4ELMNAPOLBMEN1
SCHEMBL5489673 0.83 ACHE (0.57) ALDH1A1KDM4ELMNABCHEACHE
SCHEMBL31139194 0.83 ACHE (0.57) ALDH1A1KDM4ELMNABCHEACHE
SCHEMBL28313104 0.83 BCHE (0.57) ALDH1A1KDM4ELMNABCHEACHE
SCHEMBL22470555 0.82 BCHE (0.50) ALDH1A1KDM4ELMNABCHEACHE
SCHEMBL31139216 0.82 ACHE (0.56) ALDH1A1KDM4ELMNABCHEACHE
SCHEMBL28449689 0.82 ACHE (0.56) ALDH1A1KDM4ELMNABCHEACHE
SCHEMBL31139198 0.80 BCHE (0.57) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL22470556 0.80 HTT (0.51) ALDH1A1KDM4ELMNAPOLBL3MBTL1
Oxalic Acid SCHEMBL5945376 0.79 ACHE (0.54) ALDH1A1KDM4EBCHEACHETSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0485419-A1 ACRIDINE DERIVATIVES Trifree Limited (GB) 1992-05-20 — — EP disclosed
WO-1991001974-A1 ACRIDINE DERIVATIVES TRIFREE LIMITED (GB) 1991-02-21 — — WO disclosed
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