SCHEMBL23536772

SCHEMBL23536772

CCOC(=O)C1(c2ccc(F)cc2F)CCN(c2nn(S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c3ccccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 10/20 0.36
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
OPRD1 P41143 7/20 0.35
OPRK1 P41145 6/20 0.35
SLC22A1 O15245 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
KCNH2 Q12809 1/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GBA1 P04062 1/20 0.33

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
SCHEMBL23536585 0.89 LMNA (0.34) LMNAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL23536619 0.85 TP53 (0.34) LMNAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL23536667 0.83 LMNA (0.34) LMNASMN1; SMN2SLC6A4TP53CYP3A4
SCHEMBL23536661 0.79 SMN1; SMN2 (0.46) LMNASMN1; SMN2TP53CYP3A4CYP2C9
SCHEMBL23536524 0.78 SMN1; SMN2 (0.36) LMNAALDH1A1SMN1; SMN2TP53CYP3A4
SCHEMBL23536682 0.75 HTR6 (0.34) LMNAGBA1
SCHEMBL23536596 0.75 SLC6A2 (0.39) LMNASMN1; SMN2SLC6A4TP53CYP3A4
Formic Acid SCHEMBL23536757 0.75 LMNA (0.33) LMNASMN1; SMN2TP53CYP3A4
SCHEMBL23536839 0.71 HSD17B10 (0.39) LMNAALDH1A1SMN1; SMN2USP2CYP1A2
SCHEMBL23536635 0.70 HSD17B10 (0.48) LMNAALDH1A1HSD17B10

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-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed