SCHEMBL18432829

SCHEMBL18432829

CC1=CCCC(CN)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CNR2 P34972 1/20 0.35
PPARA Q07869 1/20 0.35
LMNA P02545 2/20 0.33
TAS2R46 P59540 4/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TERT O14746 1/20 0.31
PKM P14618 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
SCHEMBL18432828 0.84 LMNA (0.35) MEN1KMT2ACNR2PPARALMNA
SCHEMBL6909386 0.81
SCHEMBL6911553 0.81
SCHEMBL19967541 0.79 LMNA (0.37) MEN1KMT2ACNR2PPARALMNA
SCHEMBL13594549 0.76 LMNA (0.35) MEN1KMT2ACNR2PPARALMNA
SCHEMBL21077983 0.73 SIGMAR1 (0.34) MEN1KMT2ACNR2PPARALMNA
SCHEMBL20625857 0.71
SCHEMBL5864241 0.71
SCHEMBL5864353 0.69 LMNA (0.40) MEN1KMT2ALMNANPC1ALDH1A1
SCHEMBL6592171 0.69

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
EP-3124551-A1 RHODAMINE-BASED COLORING COMPOSITION Wako Pure Chemical Industries, Ltd. (JP) 2017-02-01 EP disclosed