SCHEMBL23536018

SCHEMBL23536018

CCc1cc(F)c(N2CCC(C(=O)O)CC2)c(CCS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.35
TAS2R14 Q9NYV8 5/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PAX8 Q06710 1/20 0.33
RORC P51449 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
CHRM1 P11229 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
SCHEMBL23536283 0.81 MCOLN2 (0.44) ALDH1A1TP53SMN1; SMN2KMT2AKDM4E
SCHEMBL23536308 0.78 TP53 (0.42) ALDH1A1TP53SMN1; SMN2POLBKDM4E
SCHEMBL23536339 0.76 ALDH1A1 (0.40) ALDH1A1TP53SMN1; SMN2POLBKDM4E
SCHEMBL23536015 0.72 PAX8 (0.37) HTR2AHTR2CKDM4ELMNAL3MBTL1
SCHEMBL23536173 0.71 TP53 (0.44) ALDH1A1TP53SMN1; SMN2KMT2APOLB
SCHEMBL23536098 0.71 TP53 (0.44) ALDH1A1TP53SMN1; SMN2POLBKDM4E
SCHEMBL23043638 0.70 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KMT2APOLBKDM4E
SCHEMBL23536231 0.69 POLB (0.59) ALDH1A1TP53SMN1; SMN2KMT2APOLB
SCHEMBL23536515 0.67 MEN1 (0.34) KDM4ELMNAL3MBTL1PAX8RORC
SCHEMBL23536202 0.66 MAPT (0.40) ALDH1A1TP53SMN1; SMN2KMT2AKDM4E

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-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed