SCHEMBL11520696

SCHEMBL11520696

CN(C)CCNC1CCCC1N(C(=O)C1CC(Cl)C1Cl)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ MITF O75030 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ ATM Q13315 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ HTT P42858 3/20 0.32
▸ LMNA P02545 3/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ MAOA P21397 2/20 0.31

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
SCHEMBL11517772 0.82 KMT2A (0.34) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL11517299 0.82 KMT2A (0.34) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL11521062 0.81 FASN (0.36) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL11446586 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL11520152 0.79 KDM4E (0.35) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL11517756 0.77 TRPM8 (0.40) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL11332174 0.77 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL11519690 0.74 SMN1; SMN2 (0.44) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL11469344 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ANPC1
SCHEMBL11479291 0.73 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ANPC1

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