SCHEMBL27685337

SCHEMBL27685337

CCC(CC(C)C)N1CCCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NOTUM Q6P988 1/20 0.42
NPSR1 Q6W5P4 3/20 0.42
TSHR P16473 2/20 0.42
HTT P42858 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM7 Q14831 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39
ATM Q13315 1/20 0.39
MGLL Q99685 1/20 0.38
HPGD P15428 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
SCHEMBL19122068 0.89 KMT2A (0.54) ALDH1A1KMT2AMEN1NOTUMNPSR1
SCHEMBL10311200 0.83 KMT2A (0.51) ALDH1A1KMT2AMEN1NOTUMNPSR1
SCHEMBL8340951 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NOTUMNPSR1
SCHEMBL3407704 0.79 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1NOTUMNPSR1
SCHEMBL255037 0.79 NOTUM (0.50) ALDH1A1KMT2AMEN1NOTUMNPSR1
SCHEMBL21859763 0.79 SLC6A2 (0.52) ALDH1A1KMT2AMEN1NOTUMTSHR
SCHEMBL7111926 0.78 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1NOTUMNPSR1
SCHEMBL22381380 0.77 NPSR1 (0.48) ALDH1A1KMT2AMEN1NOTUMNPSR1
SCHEMBL24721488 0.77 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NOTUMNPSR1
SCHEMBL24721395 0.77 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1NOTUMNPSR1

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
CN-1956949-A Substituted sulfonamides MERCK & CO INC (US) 2007-05-02 CN disclosed