SCHEMBL4228218

SCHEMBL4228218

CCCCc1[nH]cc[n+]1CCC

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 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
Hydrochloric Acid SCHEMBL4232047 0.98 HRH3 (0.32) HRH3
SCHEMBL5304553 0.93 GPR84 (0.38) HRH3MEN1TP53CYP1A2CYP2D6
SCHEMBL4366351 0.92 HRH3 (0.32) HRH3MEN1TP53CYP1A2CYP2D6
SCHEMBL4364560 0.91 KMT2A (0.37) HRH3MEN1TP53CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4370726 0.91 HRH3 (0.32) HRH3MEN1KMT2A
Water SCHEMBL28178857 0.91 HRH3 (0.32) HRH3MEN1KMT2A
Bromide SCHEMBL4479557 0.91 HRH3 (0.32) HRH3MEN1KMT2A
SCHEMBL5287061 0.89 KMT2A (0.40) HRH3MEN1TP53CYP1A2CYP2D6
SCHEMBL19461099 0.89 KMT2A (0.40) HRH3MEN1TP53CYP1A2CYP2D6
SCHEMBL29560722 0.89 KMT2A (0.40) HRH3MEN1TP53CYP1A2CYP2D6

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
WO-2009102419-A2 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2009-08-20 WO claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO disclosed
WO-2009102419-A2 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2009-08-20 WO disclosed