SCHEMBL26032149

SCHEMBL26032149

CC(=O)N(C)c1cc(C)ccc1C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
FSCN1 Q16658 1/20 0.46
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 3/20 0.41
TP53 P04637 4/20 0.40
GAA P10253 1/20 0.39
TSPO P30536 1/20 0.39
THRB P10828 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2A6 P11509 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11184627 0.84 POLB (0.48) POLBKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL13043265 0.84 FSCN1 (0.50) FSCN1KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL10944146 0.82 POLB (0.47) POLBKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL20708217 0.81 FSCN1 (0.56) FSCN1KDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL4910933 0.81 FSCN1 (0.43) POLBFSCN1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL14098357 0.81 FSCN1 (0.43) POLBFSCN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL20264504 0.80 POLB (0.43) POLBKDM4ESMN1; SMN2MAPTTP53
SCHEMBL20264395 0.79 POLB (0.45) POLBKDM4EMAPTTP53GAA
SCHEMBL29940563 0.79 POLB (0.45) POLBKDM4EMAPTTP53GAA
SCHEMBL28678688 0.78 ALDH1A1 (0.53) POLBFSCN1SMN1; SMN2ALDH1A1MAPT

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-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed