SCHEMBL7980035

SCHEMBL7980035

CCC(C)c1cccc2[nH]c3ncccc3c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
UTS2R Q9UKP6 6/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
PTK6 Q13882 1/20 0.39
PDK2 Q15119 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHEK1 O14757 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL9963708 0.79 BCHE (0.51) UTS2RGABRA1GABRG2GABRB3GABRA5
SCHEMBL22864178 0.75 ADRB2 (0.45) MEN1KMT2A
SCHEMBL22433744 0.74 ERBB2 (0.50) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL26176435 0.72 GPR84 (0.51) KMT2A
SCHEMBL20759412 0.71 MAPT (0.45) MEN1KMT2ATSHRHTT
SCHEMBL14464030 0.71 MAPT (0.45) MEN1KMT2ATSHRHTT
SCHEMBL647434 0.71 AXL (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13596793 0.71 IMPDH2 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13596806 0.71 GABRA1 (0.52) MEN1KMT2AUTS2RGABRA1GABRG2
SCHEMBL28155368 0.70 KIF11 (0.51) MEN1KMT2AGABRA1GABRG2GABRB3

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-2009147476-A1 NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION MATRIX LABORATORIES LTD. (IN) 2009-12-10 WO disclosed