SCHEMBL4729571

SCHEMBL4729571

CC(C)C[SiH2]COCc1c[nH]c(Sc2ccccc2)n1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DHFR P00374 2/20 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
SCHEMBL4896035 0.77
SCHEMBL9214047 0.65 TUBB4A (0.38) NPC1RAB9ASMN1; SMN2DHFR
SCHEMBL4864598 0.64 TUBB4A (0.37) NPC1RAB9ASMN1; SMN2DHFR
SCHEMBL5478180 0.63 HPGD (0.43) DHFR
SCHEMBL6627821 0.61 MEN1 (0.39) NPC1RAB9ASMN1; SMN2
SCHEMBL3715462 0.60 HPGD (0.45) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL5801624 0.58 POLB (0.46) POLBRAB9ASMN1; SMN2
SCHEMBL8490366 0.57 DHFR (0.36) POLBSMN1; SMN2DHFR
SCHEMBL6623681 0.55 RAB9A (0.47) POLBNPC1RAB9ASMN1; SMN2
SCHEMBL638290 0.54 ALDH1A1 (0.61) POLBNPC1RAB9ASMN1; 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-2008036308-A2 AMINO-SUBSTITUTED HETEROCYCLES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2008-03-27 WO disclosed