SCHEMBL4360798

SCHEMBL4360798

CCCCC[n+]1cc[nH]c1CCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
TP53 P04637 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTT P42858 7/20 0.37
SMN1; SMN2 Q16637 7/20 0.37
KDM4E B2RXH2 5/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
LMNA P02545 4/20 0.37
MAPK1 P28482 3/20 0.37
RAD52 P43351 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
HSP90AA1 P07900 2/20 0.37
RGS12 O14924 1/20 0.37
USP2 O75604 1/20 0.37

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 SCHEMBL4231691 0.98 SMN1; SMN2 (0.36) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL5285867 0.98 KMT2A (0.40) KMT2AMEN1MAPTCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4362637 0.96 SMN1; SMN2 (0.39) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL4361607 0.94 MEN1 (0.31) KMT2AMEN1MAPTCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4370736 0.93 KDM4E (0.30) KMT2AMEN1HTTSMN1; SMN2KDM4E
SCHEMBL4554670 0.93 KMT2A (0.37) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL4364560 0.93 KMT2A (0.37) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL18342039 0.91 KMT2A (0.40) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL4071944 0.91 KMT2A (0.40) KMT2AMEN1MAPTCYP1A2CYP2D6
SCHEMBL18341989 0.91 KMT2A (0.40) 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 1 patent. 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