SCHEMBL18155544

SCHEMBL18155544

CCC1(C)CCN(C(=O)c2cccc(I)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
HPGD P15428 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP2D6 P10635 3/20 0.44
LMNA P02545 1/20 0.43
VNN1 O95497 1/20 0.43

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
SCHEMBL9928306 0.83 BLM (0.59) ALDH1A1TP53HPGDLMNAVNN1
SCHEMBL1947919 0.80 MGLL (0.52) MGLLALDH1A1TP53MAPK1HSD17B10
SCHEMBL12547325 0.78 SMN1; SMN2 (0.63) MGLLALDH1A1TP53MAPK1HPGD
SCHEMBL1947109 0.78 HPGD (0.65) MGLLALDH1A1TP53MAPK1HPGD
SCHEMBL14663384 0.77 HPGD (0.59) MGLLALDH1A1TP53MAPK1HPGD
SCHEMBL7906862 0.76 HPGD (0.66) MGLLALDH1A1TP53MAPK1HPGD
SCHEMBL5047494 0.74 ACHE (0.67) MGLLALDH1A1TP53HSD17B10HPGD
SCHEMBL2476582 0.74 L3MBTL1 (0.62) MGLLALDH1A1HPGDTSHR
SCHEMBL14107680 0.74 SIGMAR1 (0.65) MGLLALDH1A1TP53GABRDGABRA1
SCHEMBL5047484 0.71 MGLL (0.62) MGLLALDH1A1TP53HPGD

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
EP-3081553-A1 SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID ADDITION SALT THEREOF University of Tsukuba (JP) 2016-10-19 EP disclosed