SCHEMBL9722103

SCHEMBL9722103

CCCCCc1ccc(Cc2ccc3ccccc3c2CNC)cc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TLR8 Q9NR97 2/20 0.39
NCEH1 Q6PIU2 1/20 0.38

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
SCHEMBL9130030 0.83 NCEH1 (0.46) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9858100 0.83 KDM4E (0.47) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL10593104 0.77 BCHE (0.39) TLR8
SCHEMBL10348232 0.76 PTPN1 (0.49) NCEH1
SCHEMBL1252091 0.74 NCEH1 (0.47) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL6919402 0.74 NCEH1 (0.47) KDM4EMEN1KMT2ASMN1; SMN2TLR8
SCHEMBL234512 0.72 TYR (0.47) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2126531 0.72 NCEH1 (0.49) KDM4ETLR8NCEH1
SCHEMBL10800999 0.72 NCEH1 (0.46) LMNAKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL284699 0.72 TYR (0.47) LMNAKDM4EMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310122-B1 ANTIFUNGAL COMPOSITION KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-07-24 EP claimed
US-5120735-A Synergistic mixture of miconazole, ketoconazole or fluconazole and N-4-tertbutylbenzyl-N-methyl-1-naphthalenemethylamine KAKEN PHARMACEUTICAL CO., LTD. (JP) 1992-06-09 US disclosed
EP-0310122-B1 ANTIFUNGAL COMPOSITION KAKEN PHARMACEUTICAL CO., LTD. (JP) 1991-07-24 EP disclosed