SCHEMBL21361598

SCHEMBL21361598

Cc1cccc(C)c1N1CCN(I)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
MAPT P10636 6/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 4/20 0.51
MEN1 O00255 4/20 0.51
KDM4E B2RXH2 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
POLB P06746 4/20 0.49
GAA P10253 3/20 0.47
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
XBP1 P17861 1/20 0.40
RECQL P46063 1/20 0.39

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
SCHEMBL14543377 0.80 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL15462283 0.79 ALDH1A1 (0.61) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL623218 0.79 TDP1 (0.55) ALDH1A1MAPTKMT2AHTTMEN1
Ammonia Solution, Strong SCHEMBL16053585 0.77 TDP1 (0.53) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL11922737 0.77 ALDH1A1 (0.65) ALDH1A1MAPTKMT2AHTTMEN1
Hydrochloric Acid SCHEMBL7879022 0.77 TDP1 (0.53) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL18408991 0.77 ADRB1 (0.60) ALDH1A1KMT2AHTTTSHRLMNA
SCHEMBL14600334 0.75 CHRNA7 (0.55) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL336283 0.74 ADRB1 (0.63) ALDH1A1MAPTKMT2AHTTMEN1
SCHEMBL4807592 0.74 ALDH1A1 (0.67) ALDH1A1MAPTKMT2AHTTMEN1

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-2019178510-A1 TRIAZACYCLODODECANSULFONAMIDE (\"TCD\")-BASED PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-09-19 WO disclosed