SCHEMBL11518232

SCHEMBL11518232

CN(C)CCCNC1CC(Cl)CC1N(C(=O)CCCl)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MITF O75030 2/20 0.37
▸ PAX8 Q06710 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KDM1A O60341 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HTT P42858 4/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ FASN P49327 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ NCOA3 Q9Y6Q9 1/20 0.34
▸ ALOX15 P16050 1/20 0.33

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
SCHEMBL11521080 1.00 KDM4E (0.38) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11516820 0.94 ALDH1A1 (0.38) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11523040 0.91 KDM4E (0.38) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11519690 0.86 SMN1; SMN2 (0.44) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11456609 0.84 ALDH1A1 (0.39) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11446936 0.84 ALDH1A1 (0.38) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11454494 0.84 KDM4E (0.39) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11520324 0.82 KDM4E (0.38) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11465733 0.82 ALDH1A1 (0.41) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1
SCHEMBL11446728 0.82 ALDH1A1 (0.40) KDM4EALDH1A1KMT2ASMN1; SMN2NPC1

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
US-4148913-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-04-10 — — US claimed
US-4148913-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-04-10 — — US disclosed
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