SCHEMBL16252175

SCHEMBL16252175

CCCCCCC1(CCCCCC)N=c2c(C)ccc(C)c2=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.33
KCNH2 Q12809 1/20 0.33
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
NPC1 O15118 5/20 0.31
RAB9A P51151 5/20 0.31
GALR3 O60755 2/20 0.31
POLB P06746 2/20 0.31
ATM Q13315 2/20 0.31
MAPK1 P28482 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MAPT P10636 1/20 0.31
RAD52 P43351 1/20 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
SCHEMBL16204055 0.84
SCHEMBL16202731 0.79 MMP2 (0.34) KCNH2MMP2MMP9MMP3MMP8
SCHEMBL15578898 0.74 MMP2 (0.40) KCNH2MMP2MMP9MMP3MMP8
SCHEMBL11270919 0.74 MMP2 (0.40) KCNH2MMP2MMP9MMP3MMP8
SCHEMBL14361695 0.74 MMP2 (0.40) KCNH2MMP2MMP9MMP3MMP8
SCHEMBL14361610 0.69 MMP2 (0.36) KCNH2MMP2MMP9MMP3MMP8
SCHEMBL14361783 0.68 MMP2 (0.38) KCNH2MMP2MMP9MMP3MMP8
SCHEMBL5282819 0.63 TSHR (0.42) LMNATSHRTHRB
SCHEMBL28750605 0.63 PTGS2 (0.46) HTTKCNH2LMNAKDM4ETSHR
O-Xylene SCHEMBL7635740 0.62 TSHR (0.59) HTTKCNH2MAPK1SMN1; SMN2TSHR

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-20140338750-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT Konica Minolta, Inc. (JP) 2014-11-20 US disclosed