SCHEMBL5831370

SCHEMBL5831370

CCCCCCCCCCCCCCCCCCNN1C=NCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.46
GNAO1 P09471 3/20 0.46
GNAI1 P63096 3/20 0.46
CYP4Z1 Q86W10 4/20 0.36
EPHX1 P07099 3/20 0.34
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
MMP3 P08254 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
SLC2A1 P11166 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
SCHEMBL28088423 1.00 GNAI3 (0.46) GNAI3GNAO1GNAI1CYP4Z1EPHX1
SCHEMBL28088710 1.00 GNAI3 (0.46) GNAI3GNAO1GNAI1CYP4Z1EPHX1
SCHEMBL27952331 1.00 GNAI3 (0.46) GNAI3GNAO1GNAI1CYP4Z1EPHX1
SCHEMBL28088485 1.00 GNAI3 (0.46) GNAI3GNAO1GNAI1CYP4Z1EPHX1
SCHEMBL28006589 1.00 GNAI3 (0.46) GNAI3GNAO1GNAI1CYP4Z1EPHX1
SCHEMBL11867460 0.98 GNAI3 (0.43) GNAI3GNAO1GNAI1CYP4Z1EPHX1
SCHEMBL9468207 0.91 GNAI3 (0.40) GNAI3GNAO1GNAI1
SCHEMBL11215427 0.81 GNAI3 (0.34) GNAI3GNAO1GNAI1ALDH1A1TSHR
SCHEMBL7699695 0.75 GNAI3 (0.42) GNAI3GNAO1GNAI1CYP4Z1EPHX1
SCHEMBL5161618 0.71 CA12 (0.39) ALDH1A1

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-6982241-B2 Cleaning composition comprising an inorganic acid mixture and a cationic surfactant ECOLAB INC. (US) 2006-01-03 US disclosed