SCHEMBL23540217

SCHEMBL23540217

COc1cccc(C(c2nnnn2CCc2ccccc2)N2CCC(C(=O)NC(C)(C)C)CC2)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
ALDH1A1 P00352 5/20 0.67
LMNA P02545 2/20 0.67
USP2 O75604 1/20 0.67
MAPT P10636 1/20 0.67
NPSR1 Q6W5P4 2/20 0.60
HTT P42858 2/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
PKM P14618 1/20 0.58
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 1/20 0.56
ALOX15 P16050 1/20 0.55
PAX8 Q06710 1/20 0.53
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A1 P43005 1/20 0.49

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
SCHEMBL23539511 0.90 TSHR (0.70) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL23539473 0.87 ALDH1A1 (0.66) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL23539176 0.86 TSHR (0.65) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL23539300 0.85 ALDH1A1 (0.70) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL23539486 0.84 ALDH1A1 (0.71) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL23539148 0.81 ALDH1A1 (0.79) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL23539492 0.79 ALDH1A1 (0.67) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL23539161 0.78 TSHR (0.66) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL23539472 0.78 ALDH1A1 (0.68) TSHRALDH1A1LMNAUSP2MAPT
SCHEMBL23539113 0.77 TSHR (0.72) TSHRALDH1A1LMNAUSP2MAPT

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