SCHEMBL9764422

SCHEMBL9764422

CN(C)CC(=O)Nc1ccc(C#CCOCCCCCCN(Cc2ccccc2)CC(O)c2cc(Cl)c(N)c(Cl)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.37
RORC P51449 4/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KCNH2 Q12809 1/20 0.32
ADRB2 P07550 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9764279 0.85 NR1H3 (0.35) KDM4E
SCHEMBL9764538 0.83 HPGD (0.35) HTTKDM4EALDH1A1MAPTPOLB
SCHEMBL9764548 0.83 KCNH2 (0.33) KDM4EKCNH2
SCHEMBL10466615 0.82 NR1H3 (0.34) KDM4EKCNH2MEN1KMT2A
SCHEMBL10468115 0.81 RORC (0.35) RORCLMNAKDM4EALDH1A1KCNH2
SCHEMBL10468372 0.81 NR1H3 (0.33) LMNAKDM4EALDH1A1MAPT
SCHEMBL9319139 0.80 MAOB (0.38) ALDH1A1
SCHEMBL9764569 0.80 SNCA (0.38) ALDH1A1GAAKMT2A
SCHEMBL10466931 0.80 NR1H3 (0.33) KDM4E
SCHEMBL10465464 0.79 MAOB (0.32)

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-5006556-A Dichloroaniline derivatives for the therapy or prophylaxysis of a disease associated with reversible airway obstruction GLAXO GROUP LIMITED (GB) 1991-04-09 US disclosed
US-4943591-A TREATMENT OF ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1990-07-24 US disclosed