SCHEMBL9088019

SCHEMBL9088019

Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCn1ncnc1CO

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL9091711 0.86 NPC1 (0.33) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9091441 0.82 USP2 (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9091367 0.81 MMP1 (0.34)
SCHEMBL9090872 0.78 KMT2A (0.32) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL9091098 0.76 KDM4E (0.50) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8553780 0.76 NPC1 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8661865 0.76 NPC1 (0.34) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8603712 0.75 NR1I2 (0.37) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8551474 0.75 LTB4R (0.37) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL8553057 0.75 KMT2A (0.34) NPC1NFKB1RAB9ANFKB2RELA

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
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed