SCHEMBL16206237

SCHEMBL16206237

CCCCN1C=CN(c2c(C)cc(C)cc2C)C1C

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NR1I2 O75469 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CRHR1 P34998 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL10029426 0.77 ALDH1A1 (0.33) POLBSMN1; SMN2
SCHEMBL28144633 0.74 HRH3 (0.31)
SCHEMBL329331 0.73 GBA1 (0.32) POLBTSHRSMN1; SMN2SIGMAR1
SCHEMBL5302977 0.71 RAB9A (0.38) TSHRSMN1; SMN2SIGMAR1HPGD
SCHEMBL16206234 0.71 NR1I2 (0.43) POLBTSHRSMN1; SMN2NR1I2SIGMAR1
SCHEMBL5287172 0.69 GBA1 (0.31)
SCHEMBL5286518 0.69 EBP (0.36) POLBTSHRSMN1; SMN2SIGMAR1
SCHEMBL21065371 0.69 KDM4E (0.31)
SCHEMBL5282342 0.68 EBP (0.39) POLBTSHRSIGMAR1
SCHEMBL5290943 0.68 EBP (0.39) POLBTSHRSIGMAR1

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-2014172885-A1 GROUP 9 TRANSITION METAL CATALYSTS AND PROCESS FOR USE OF SAME GUANG MING INNOVATION COMPANY (WUHAN) (CN) 2014-10-30 WO disclosed