SCHEMBL21361484

SCHEMBL21361484

CSCc1cccc(CCC(C)Cc2ccc(C)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
PSMD14 O00487 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
AGTR1 P30556 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRK1 P41145 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
SLC6A4 P31645 3/20 0.33
TAAR1 Q96RJ0 4/20 0.33
IDE P14735 1/20 0.32
UBE2N P61088 1/20 0.32
SLC6A2 P23975 3/20 0.32

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
SCHEMBL6547008 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1SLC6A4
SCHEMBL6546874 0.78 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1L3MBTL1SLC6A4
SCHEMBL23714185 0.73 PNMT (0.37) LMNAOPRK1MAPTSLC6A4TAAR1
SCHEMBL3014825 0.72 SLC11A2 (0.46) ALDH1A1KMT2AKDM4EMEN1PSMD14
SCHEMBL3082123 0.69 SIGMAR1 (0.52) KMT2AMEN1SLC6A4TAAR1SLC6A2
SCHEMBL1145610 0.69 TAAR1 (0.56) ALDH1A1KMT2AKDM4EMEN1PSMD14
SCHEMBL515186 0.68 MAPT (0.56) ALDH1A1KMT2AMEN1LMNACYP1A2
SCHEMBL19221800 0.68 OPRK1 (0.46) KMT2AKDM4EMEN1LMNACYP1A2
SCHEMBL18820847 0.68 OPRK1 (0.46) KMT2AKDM4EMEN1LMNACYP1A2
Ammonia Solution, Strong SCHEMBL27683289 0.67 TAAR1 (0.55) ALDH1A1KMT2AKDM4EMEN1PSMD14

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