SCHEMBL31083015

SCHEMBL31083015

COc1cc(NC(C)=O)cc(C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
LMNA P02545 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 4/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MITF O75030 1/20 0.41
PAX8 Q06710 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRAF P15056 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL10273174 0.90 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL850463 0.84 LMNA (0.54) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL13065195 0.80 ALDH1A1 (0.46) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL6796229 0.77 MAPT (0.62) ALDH1A1LMNASMN1; SMN2MAPTPOLB
SCHEMBL16359012 0.77 HTR2A (0.36) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL8382704 0.77 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2MAPTPOLB
SCHEMBL18751506 0.77 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL10792245 0.77 TSHR (0.53) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL5952099 0.76 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2MAPK1HTT
SCHEMBL9817876 0.76 GRM4 (0.58) ALDH1A1LMNASMN1; SMN2MAPK1HTT

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-2024182747-A2 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2024-09-06 WO disclosed