SCHEMBL23539486

SCHEMBL23539486

COc1cccc(C(c2nnnn2CCc2ccccc2)N2CCN(C(=O)OC(C)(C)C)CC2)c1OC

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
TSHR P16473 5/20 0.71
LMNA P02545 2/20 0.71
MAPT P10636 2/20 0.71
USP2 O75604 1/20 0.71
KMT2A Q03164 5/20 0.62
MEN1 O00255 3/20 0.62
ALOX15 P16050 1/20 0.62
HTT P42858 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
KDM4E B2RXH2 3/20 0.55
TP53 P04637 1/20 0.55
GAA P10253 1/20 0.53
SLC1A3 P43003 1/20 0.52
SLC1A1 P43005 1/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
PAX8 Q06710 1/20 0.51

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
SCHEMBL23539472 0.85 ALDH1A1 (0.68) ALDH1A1TSHRLMNAMAPTUSP2
SCHEMBL23539511 0.85 TSHR (0.70) ALDH1A1TSHRLMNAMAPTUSP2
SCHEMBL23540142 0.85 ALDH1A1 (0.67) ALDH1A1TSHRLMNAMAPTUSP2
SCHEMBL23540217 0.84 TSHR (0.67) ALDH1A1TSHRLMNAMAPTUSP2
SCHEMBL23539492 0.83 ALDH1A1 (0.67) ALDH1A1TSHRLMNAMAPTUSP2
SCHEMBL23539161 0.82 TSHR (0.66) ALDH1A1TSHRLMNAMAPTUSP2
SCHEMBL23539148 0.82 ALDH1A1 (0.79) ALDH1A1TSHRLMNAMAPTUSP2
SCHEMBL23539473 0.82 ALDH1A1 (0.66) ALDH1A1TSHRLMNAMAPTUSP2
SCHEMBL23539176 0.82 TSHR (0.65) ALDH1A1TSHRLMNAMAPTUSP2
SCHEMBL23539300 0.80 ALDH1A1 (0.70) ALDH1A1TSHRLMNAMAPTUSP2

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-2021127328-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed