SCHEMBL4227897

SCHEMBL4227897

CCCCC[n+]1cc[nH]c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 7/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
KDM4E B2RXH2 5/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
LMNA P02545 4/20 0.38
RAD52 P43351 4/20 0.38
MAPK1 P28482 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
HSP90AA1 P07900 2/20 0.38
RGS12 O14924 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL4230747 0.98 KMT2A (0.41) KMT2AMEN1MAPTCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4233269 0.98 SMN1; SMN2 (0.37) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL902005 0.98 KMT2A (0.41) KMT2AMEN1MAPTCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL13274432 0.96 SMN1; SMN2 (0.40) KMT2AMEN1MAPTCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4227985 0.96 SMN1; SMN2 (0.40) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL329039 0.94 HTT (0.32) KMT2AMEN1MAPTCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4222866 0.92 MEN1 (0.31) KMT2AMEN1MAPTCYP1A2CYP2D6
Iodide SCHEMBL4267896 0.92 NPC1 (0.34) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL2438427 0.92 KMT2A (0.37) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL4554670 0.87 KMT2A (0.37) KMT2AMEN1MAPTCYP1A2CYP2D6

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