SCHEMBL17844149

SCHEMBL17844149

CC(C)(C)n1sc(-c2ccccc2)c(NCCOc2cccnc2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.44
CHRNA4 P43681 6/20 0.44
GBA1 P04062 3/20 0.41
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.35
P4HTM Q9NXG6 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
SCHEMBL17844214 0.97 CHRNB2 (0.44) CHRNB2CHRNA4GBA1KDM4ERECQL
SCHEMBL17844247 0.90 HTR1B (0.39) KDM4ERECQLALDH1A1
SCHEMBL5184340 0.86 GBA1 (0.35) GBA1KDM4EALDH1A1USP2
SCHEMBL5186747 0.83 PTPN2 (0.37) RECQL
SCHEMBL17844223 0.82 DRD2 (0.41)
SCHEMBL17844232 0.81 DRD2 (0.44) CHRNB2CHRNA4KDM4E
SCHEMBL17844246 0.80 HCRTR1 (0.39) KDM4EALDH1A1
SCHEMBL17844176 0.80 ADORA3 (0.35)
SCHEMBL17844178 0.80 DRD4 (0.43) KDM4EALDH1A1
SCHEMBL17844169 0.79 SCN9A (0.36) KDM4E

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