SCHEMBL8073231

SCHEMBL8073231

Brc1cccc(N=C(NC2CCCCC2)NC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
HRH2 P25021 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL2229916 0.83 EPHX2 (0.56) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL2740869 0.82 SMN1; SMN2 (0.51) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL1740909 0.82 SMN1; SMN2 (0.49) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10493665 0.79 SIGMAR1 (0.52) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL2740868 0.73 NPC1 (0.50) ALDH1A1NPC1RAB9AKMT2ALMNA
SCHEMBL8076603 0.72 EPHX1 (0.51) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8741836 0.72 RAB9A (0.54) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL10493725 0.72 SMN1; SMN2 (0.49) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL613993 0.72 RAB9A (0.68) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL27776844 0.72 SMN1; SMN2 (0.58) ALDH1A1RAB9AMEN1KMT2ALMNA

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
JP-2000128717-A ANTIFOULING AGENT FOR UNDERWATER NOXIOUS ATTACHED ORGANISM IHARA CHEM IND CO LTD 2000-05-09 JP disclosed