SCHEMBL17844227

SCHEMBL17844227

CC(C)(C)n1sc(-c2ccccc2)c(NCCCO)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
CDC25A P30304 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.33
FYN P06241 3/20 0.33
RCE1 Q9Y256 1/20 0.33
HPGD P15428 1/20 0.33
PDE4B Q07343 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SYK P43405 2/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HDAC1 Q13547 1/20 0.32

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
SCHEMBL17844110 0.85 MAOA (0.40) POLBMEN1KMT2A
SCHEMBL17844236 0.81 DRD2 (0.44) POLBLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17844244 0.81 MTNR1A (0.40) LMNAKDM4EALDH1A1HPGD
SCHEMBL3551960 0.81 BRD4 (0.39) POLBRAD52MAPTKDM4ESMN1; SMN2
SCHEMBL3653144 0.81 SMN1; SMN2 (0.36) SMN1; SMN2SYKCA12CA2CA9
SCHEMBL17844148 0.80 KMT2A (0.40) MAPTHTTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL17844130 0.80 DRD2 (0.41) LMNAMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL17844176 0.80 ADORA3 (0.35) AURKA
SCHEMBL17844119 0.80 TAAR1 (0.40) POLBMAPTKDM4EALDH1A1HPGD
SCHEMBL17844228 0.79 CYP1A2 (0.43) LMNAMAPTHTTKDM4ESMN1; SMN2

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed