SCHEMBL24818525

SCHEMBL24818525

Cc1nc2cc(CNCC(C)(C)O)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ESR2 Q92731 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DHODH Q02127 1/20 0.34
LMNA P02545 2/20 0.33
VSIR Q9H7M9 2/20 0.33
KCNH2 Q12809 1/20 0.33
GRM2 Q14416 1/20 0.33
HTT P42858 2/20 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
SCHEMBL8299684 0.80 DHODH (0.46) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL12109671 0.79 DRD4 (0.47) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL19103550 0.78 VSIR (0.42) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL12109658 0.77 MAPT (0.45) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL6214425 0.75 GAA (0.47) MAPTKMT2AMEN1GAAVSIR
SCHEMBL889001 0.75 HSD17B10 (0.47) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL24818519 0.74 CFTR (0.33) MAPTKDM4EPOLBHPGD
SCHEMBL12213873 0.74 ALDH1A1 (0.46) MAPTKDM4EPOLBHPGDALDH1A1
Hydrochloric Acid SCHEMBL11366200 0.73 HSD17B10 (0.46) MAPTKDM4EPOLBHPGDALDH1A1
SCHEMBL24821636 0.73 RAB9A (0.44) MAPTKDM4EPOLBALDH1A1KMT2A

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed