SCHEMBL6470110

SCHEMBL6470110

COc1cc(CN(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2)C(N)=S)ccc1OCCN

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CETP P11597 1/20 0.39

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
SCHEMBL6470393 0.92 ALDH1A1 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL6469665 0.86 MEN1 (0.43) KDM4EATMMEN1KMT2A
SCHEMBL6470064 0.83 ALDH1A1 (0.43) KDM4EATMALDH1A1MEN1KMT2A
SCHEMBL6470985 0.82 PTGER3 (0.40) ALDH1A1
SCHEMBL6471665 0.81 ALDH1A1 (0.42) KDM4EATMALDH1A1MEN1KMT2A
SCHEMBL9340833 0.79
SCHEMBL6472270 0.78 MEN1 (0.56) KDM4EMEN1KMT2A
SCHEMBL6471647 0.77 MEN1 (0.44) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6470927 0.77 ALDH1A1 (0.46) KDM4EALDH1A1MEN1KMT2A
SCHEMBL8814886 0.75 ALDH1A1 (0.59) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462933-B1 Novel N-benzyl-N1-phenyl and -phenalkyl-thioureas SANDOZ LTD (CH) 1994-06-08 EP claimed
EP-0462933-A1 Novel N-benzyl-N1-phenyl and -phenalkyl-thioureas SANDOZ LTD. (CH) 1991-12-27 EP claimed
US-20050031717-A1 Using capsaicin receptors; complexing VIRGINIA COMMONWEALTH UNIVERSITY 2005-02-10 US disclosed
WO-2005006881-A2 SALT TASTE MODIFICATION VIRGINIA COMMONWEALTH UNIVERSITY (US) 2005-01-27 WO disclosed